benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone

C97H131FN8O10 — CID 159008449

IUPACbenzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(NC(=O)OCc2ccccc2)cc1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.COCCCC(=O)c1ccc(C(C)C)cc1.Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C17H19NO2.2C15H22N2O.2C14H19NO2.C14H20O2.C8H10FN/c1-13(2)15-8-10-16(11-9-15)18-17(19)20-12-14-6-4-3-5-7-14;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12(2)16-7-9-17(10-8-16)15(18)14-6-4-5-13(3)11-14;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-11(2)12-6-8-13(9-7-12)14(15)5-4-10-16-3;1-6(2)7-3-4-8(9)10-5-7/h3-11,13H,12H2,1-2H3,(H,18,19);4-7,12H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;6-9,11H,4-5,10H2,1-3H3;3-6H,1-2H3
InChIKeyJSFDYDUCFLCMII-UHFFFAOYSA-N
MW1588.16 g/mol
LogP19.25
Rot. Bonds19

About benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone

benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone (PubChem CID 159008449) has the molecular formula C97H131FN8O10 and a molecular weight of 1588.16 g/mol. Its IUPAC name is benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Namebenzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone
PubChem CID159008449
Molecular FormulaC97H131FN8O10
Molecular Weight1588.16 g/mol
Exact Mass1587.00
IUPAC Namebenzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(NC(=O)OCc2ccccc2)cc1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.COCCCC(=O)c1ccc(C(C)C)cc1.Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1
InChIInChI=1S/C17H19NO2.2C15H22N2O.2C14H19NO2.C14H20O2.C8H10FN/c1-13(2)15-8-10-16(11-9-15)18-17(19)20-12-14-6-4-3-5-7-14;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12(2)16-7-9-17(10-8-16)15(18)14-6-4-5-13(3)11-14;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-11(2)12-6-8-13(9-7-12)14(15)5-4-10-16-3;1-6(2)7-3-4-8(9)10-5-7/h3-11,13H,12H2,1-2H3,(H,18,19);4-7,12H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;6-9,11H,4-5,10H2,1-3H3;3-6H,1-2H3
InChIKeyJSFDYDUCFLCMII-UHFFFAOYSA-N
XLogP19.25
TPSA183.70 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds19
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001588.16
LogP ≤ 519.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone with MolForge

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Related Compounds

tert-butyl N-[1-(2,5-difluorophenyl)-3-[[3-[(3S,4R)-3-hydroxy-2-oxo-4-(phenylmethoxycarbonylamino)-5-(4-pyridin-3-ylphenyl)pentyl]benzoyl]amino]propan-2-yl]carbamate
CID 58075919
CID 157221941
CID 157221941
benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(2,6-difluorophenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-(3-methylphenyl)ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;[(1S)-1-phenylbutyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;1-[2-(trifluoromethyl)phenyl]ethyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate
CID 157545308
benzyl N-[[2-[2-[benzyl(ethyl)carbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(4,4-difluoropentylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[[4-(dimethylamino)phenyl]methylcarbamoyl]phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-phenylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-[2-(propan-2-ylamino)prop-2-enylcarbamoyl]phenyl]phenyl]methyl]carbamate;methane;methyl 4-methyl-2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]pentanoate;methyl 2-[[2-[2-(phenylmethoxycarbonylaminomethyl)phenyl]benzoyl]amino]-3-pyridin-2-ylpropanoate
CID 158323161
N-[6-methyl-5-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;1-methyl-5-[2-methyl-5-[2-[3-(trifluoromethyl)phenyl]acetyl]phenyl]-3-morpholin-4-ylpyridin-2-one;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1-propan-2-yl-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide
CID 158953790
1-(4-acetylphenyl)-3-methylbutan-2-one;1-(4-acetylpiperazin-1-yl)-2-methylpropan-1-one;benzyl 2-methylpropanoate;N-tert-butyl-2-methylpropanamide;1-[4-(1,1-difluoroethyl)-4-hydroxypiperidin-1-yl]-2,2-dimethylpropan-1-one;3,3-dimethyl-1-(4-methylphenyl)butan-2-one;2,2-dimethyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;2,2-dimethyl-N-pyridin-4-ylpropanamide;N-ethyl-2-methylpropanamide;methyl 2-methylpropanoate;3-methyl-1-(oxan-4-yl)butan-2-one;2-methyl-1-(oxan-4-yl)propan-1-one;bis(2-methylpentan-3-one);bis(3-methyl-1-phenylbutan-2-one);2-methyl-1-phenylpropan-1-one;4-(2-methylpropanoyl)cyclohexane-1-carboxylic acid;2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one;3-methyl-1-pyridin-4-ylbutan-2-one
CID 159130306
benzyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;benzyl N-[[2-[2-(pyridin-2-ylmethylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(3-methylbutylcarbamoyl)phenyl]phenyl]methyl]carbamate;butyl N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;(4-fluorophenyl)methyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate;methane;[(1S)-1-phenylbutyl] N-[[2-[2-(2-pyridin-2-ylethylcarbamoyl)phenyl]phenyl]methyl]carbamate;4,4,4-trifluorobutyl N-[[2-[2-[(2-fluoro-4-methylphenyl)methylcarbamoyl]phenyl]phenyl]methyl]carbamate
CID 159285461
benzyl 5-[6-[4-[[4-[2-[4-[5-[2-(2-carbamoylphenyl)-2-iminoethyl]-2-fluorobenzoyl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]methyl]piperidine-1-carbonyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177118976
Methyl 4-[[[4-[5-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]benzoyl]amino]methyl]benzoate
CID 24938079
Methyl 2-[[2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethoxy]acetyl]amino]-5-pyridin-3-ylbenzoate
CID 51041417
[(S)-phenyl(pyridin-3-yl)methyl] N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-[2-(2-morpholin-4-ylethoxy)ethyl]carbamate
CID 59544626
[4-[(2-aminophenyl)carbamoyl]phenyl]methyl N-[2-(2-morpholin-4-ylethoxy)ethyl]-N-[(S)-phenyl(pyridin-3-yl)methyl]carbamate
CID 59544655

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone?
The IUPAC name of benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone (CID 159008449) is benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CCN(C)CC2)cc1.CC(C)c1ccc(C(=O)N2CCOCC2)cc1.CC(C)c1ccc(F)nc1.CC(C)c1ccc(NC(=O)OCc2ccccc2)cc1.CC(C)c1cccc(C(=O)N2CCOCC2)c1.COCCCC(=O)c1ccc(C(C)C)cc1.Cc1cccc(C(=O)N2CCN(C(C)C)CC2)c1.
What is the InChIKey of benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone?
The InChIKey is JSFDYDUCFLCMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.2C15H22N2O.2C14H19NO2.C14H20O2.C8H10FN/c1-13(2)15-8-10-16(11-9-15)18-17(19)20-12-14-6-4-3-5-7-14;1-12(2)13-4-6-14(7-5-13)15(18)17-10-8-16(3)9-11-17;1-12(2)16-7-9-17(10-8-16)15(18)14-6-4-5-13(3)11-14;1-11(2)12-3-5-13(6-4-12)14(16)15-7-9-17-10-8-15;1-11(2)12-4-3-5-13(10-12)14(16)15-6-8-17-9-7-15;1-11(2)12-6-8-13(9-7-12)14(15)5-4-10-16-3;1-6(2)7-3-4-8(9)10-5-7/h3-11,13H,12H2,1-2H3,(H,18,19);4-7,12H,8-11H2,1-3H3;4-6,11-12H,7-10H2,1-3H3;3-6,11H,7-10H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;6-9,11H,4-5,10H2,1-3H3;3-6H,1-2H3.
What are the key properties of benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone?
benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone has a molecular weight of 1588.16 g/mol, XLogP of 19.25, 19 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-propan-2-ylphenyl)carbamate;2-fluoro-5-propan-2-ylpyridine;4-methoxy-1-(4-propan-2-ylphenyl)butan-1-one;(3-methylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;morpholin-4-yl-(3-propan-2-ylphenyl)methanone;morpholin-4-yl-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 159008449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).