benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone

C171H230N10O11 — CID 165090298

IUPACbenzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2ccc(C(C)C)cc2)CC1.CC(=O)c1ccc(C(C)C)cc1.CC(C)N1CCc2ccccc2C1.CC(C)c1ccc(C(=O)NCCC(=O)OCc2ccccc2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCCC(O)C2)cc1.CC(C)c1ccc2c(c1)C(C)CC2.CC(C)c1cccc(C(=O)NN)c1.CC(C)c1cncc(CCC(=O)CCc2ccccc2)c1.CC(C)c1cncc(CCC(=O)CCc2ccccc2)c1.CCCCC(=O)c1cccc(C(C)C)c1.Cc1ccncc1C(C)C
InChIInChI=1S/C20H23NO3.2C19H23NO.C16H23NO.2C14H21NO.C14H20O.C13H18.C12H17N.C11H14O.C10H14N2O.C9H13N/c1-15(2)17-8-10-18(11-9-17)20(23)21-13-12-19(22)24-14-16-6-4-3-5-7-16;2*1-15(2)18-12-17(13-20-14-18)9-11-19(21)10-8-16-6-4-3-5-7-16;1-12(2)14-4-6-16(7-5-14)17-10-8-15(9-11-17)13(3)18;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-5-7-13(8-6-12)15-9-3-4-14(16)10-15;1-4-5-9-14(15)13-8-6-7-12(10-13)11(2)3;1-9(2)12-7-6-11-5-4-10(3)13(11)8-12;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-4-3-5-9(6-8)10(13)12-11;1-7(2)9-6-10-5-4-8(9)3/h3-11,15H,12-14H2,1-2H3,(H,21,23);2*3-7,12-15H,8-11H2,1-2H3;4-7,12,15H,8-11H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;5-8,11,14,16H,3-4,9-10H2,1-2H3;6-8,10-11H,4-5,9H2,1-3H3;6-10H,4-5H2,1-3H3;3-6,10H,7-9H2,1-2H3;4-8H,1-3H3;3-7H,11H2,1-2H3,(H,12,13);4-7H,1-3H3
InChIKeyWOTBUQIIRPFYAR-UHFFFAOYSA-N
MW2601.78 g/mol
LogP38.95
Rot. Bonds40

About benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone

benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone (PubChem CID 165090298) has the molecular formula C171H230N10O11 and a molecular weight of 2601.78 g/mol. Its IUPAC name is benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone.

Molecular Properties

Compound Namebenzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone
PubChem CID165090298
Molecular FormulaC171H230N10O11
Molecular Weight2601.78 g/mol
Exact Mass2599.77
IUPAC Namebenzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone
SMILESCC(=O)C1CCN(c2ccc(C(C)C)cc2)CC1.CC(=O)c1ccc(C(C)C)cc1.CC(C)N1CCc2ccccc2C1.CC(C)c1ccc(C(=O)NCCC(=O)OCc2ccccc2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCCC(O)C2)cc1.CC(C)c1ccc2c(c1)C(C)CC2.CC(C)c1cccc(C(=O)NN)c1.CC(C)c1cncc(CCC(=O)CCc2ccccc2)c1.CC(C)c1cncc(CCC(=O)CCc2ccccc2)c1.CCCCC(=O)c1cccc(C(C)C)c1.Cc1ccncc1C(C)C
InChIInChI=1S/C20H23NO3.2C19H23NO.C16H23NO.2C14H21NO.C14H20O.C13H18.C12H17N.C11H14O.C10H14N2O.C9H13N/c1-15(2)17-8-10-18(11-9-17)20(23)21-13-12-19(22)24-14-16-6-4-3-5-7-16;2*1-15(2)18-12-17(13-20-14-18)9-11-19(21)10-8-16-6-4-3-5-7-16;1-12(2)14-4-6-16(7-5-14)17-10-8-15(9-11-17)13(3)18;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-5-7-13(8-6-12)15-9-3-4-14(16)10-15;1-4-5-9-14(15)13-8-6-7-12(10-13)11(2)3;1-9(2)12-7-6-11-5-4-10(3)13(11)8-12;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-4-3-5-9(6-8)10(13)12-11;1-7(2)9-6-10-5-4-8(9)3/h3-11,15H,12-14H2,1-2H3,(H,21,23);2*3-7,12-15H,8-11H2,1-2H3;4-7,12,15H,8-11H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;5-8,11,14,16H,3-4,9-10H2,1-2H3;6-8,10-11H,4-5,9H2,1-3H3;6-10H,4-5H2,1-3H3;3-6,10H,7-9H2,1-2H3;4-8H,1-3H3;3-7H,11H2,1-2H3,(H,12,13);4-7H,1-3H3
InChIKeyWOTBUQIIRPFYAR-UHFFFAOYSA-N
XLogP38.95
TPSA287.96 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds40
Heavy Atoms192
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002601.78
LogP ≤ 538.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone?
The IUPAC name of benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone (CID 165090298) is benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone.
What is the SMILES notation for benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone?
The canonical SMILES for benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone is CC(=O)C1CCN(c2ccc(C(C)C)cc2)CC1.CC(=O)c1ccc(C(C)C)cc1.CC(C)N1CCc2ccccc2C1.CC(C)c1ccc(C(=O)NCCC(=O)OCc2ccccc2)cc1.CC(C)c1ccc(N2CCC(O)CC2)cc1.CC(C)c1ccc(N2CCCC(O)C2)cc1.CC(C)c1ccc2c(c1)C(C)CC2.CC(C)c1cccc(C(=O)NN)c1.CC(C)c1cncc(CCC(=O)CCc2ccccc2)c1.CC(C)c1cncc(CCC(=O)CCc2ccccc2)c1.CCCCC(=O)c1cccc(C(C)C)c1.Cc1ccncc1C(C)C.
What is the InChIKey of benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone?
The InChIKey is WOTBUQIIRPFYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3.2C19H23NO.C16H23NO.2C14H21NO.C14H20O.C13H18.C12H17N.C11H14O.C10H14N2O.C9H13N/c1-15(2)17-8-10-18(11-9-17)20(23)21-13-12-19(22)24-14-16-6-4-3-5-7-16;2*1-15(2)18-12-17(13-20-14-18)9-11-19(21)10-8-16-6-4-3-5-7-16;1-12(2)14-4-6-16(7-5-14)17-10-8-15(9-11-17)13(3)18;1-11(2)12-3-5-13(6-4-12)15-9-7-14(16)8-10-15;1-11(2)12-5-7-13(8-6-12)15-9-3-4-14(16)10-15;1-4-5-9-14(15)13-8-6-7-12(10-13)11(2)3;1-9(2)12-7-6-11-5-4-10(3)13(11)8-12;1-10(2)13-8-7-11-5-3-4-6-12(11)9-13;1-8(2)10-4-6-11(7-5-10)9(3)12;1-7(2)8-4-3-5-9(6-8)10(13)12-11;1-7(2)9-6-10-5-4-8(9)3/h3-11,15H,12-14H2,1-2H3,(H,21,23);2*3-7,12-15H,8-11H2,1-2H3;4-7,12,15H,8-11H2,1-3H3;3-6,11,14,16H,7-10H2,1-2H3;5-8,11,14,16H,3-4,9-10H2,1-2H3;6-8,10-11H,4-5,9H2,1-3H3;6-10H,4-5H2,1-3H3;3-6,10H,7-9H2,1-2H3;4-8H,1-3H3;3-7H,11H2,1-2H3,(H,12,13);4-7H,1-3H3.
What are the key properties of benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone?
benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone has a molecular weight of 2601.78 g/mol, XLogP of 38.95, 40 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[(4-propan-2-ylbenzoyl)amino]propanoate;1-methyl-6-propan-2-yl-2,3-dihydro-1H-indene;4-methyl-3-propan-2-ylpyridine;bis(1-phenyl-5-(5-propan-2-yl-3-pyridinyl)pentan-3-one);3-propan-2-ylbenzohydrazide;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;1-(4-propan-2-ylphenyl)ethanone;1-(3-propan-2-ylphenyl)pentan-1-one;1-(4-propan-2-ylphenyl)piperidin-3-ol;1-(4-propan-2-ylphenyl)piperidin-4-ol;1-[1-(4-propan-2-ylphenyl)piperidin-4-yl]ethanone is sourced from PubChem (CID 165090298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).