N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate

C60H72N4O6 — CID 157103608

IUPACN-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC1(CCN(Cc3ccc(C)cc3)C1)C2.COC(=O)c1ccc2c(c1)CCC1(CCNC1)C2.Cc1ccc(CN2CCC3(CCc4cc(C(=O)NO)ccc4C3)C2)cc1
InChIInChI=1S/C23H27NO2.C22H26N2O2.C15H19NO2/c1-17-3-5-18(6-4-17)15-24-12-11-23(16-24)10-9-19-13-20(22(25)26-2)7-8-21(19)14-23;1-16-2-4-17(5-3-16)14-24-11-10-22(15-24)9-8-18-12-19(21(25)23-26)6-7-20(18)13-22;1-18-14(17)12-2-3-13-9-15(6-7-16-10-15)5-4-11(13)8-12/h3-8,13H,9-12,14-16H2,1-2H3;2-7,12,26H,8-11,13-15H2,1H3,(H,23,25);2-3,8,16H,4-7,9-10H2,1H3
InChIKeyAGAVNKXKUOJEOZ-UHFFFAOYSA-N
MW945.26 g/mol
LogP9.60
Rot. Bonds7

About N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate

N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate (PubChem CID 157103608) has the molecular formula C60H72N4O6 and a molecular weight of 945.26 g/mol. Its IUPAC name is N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate.

Molecular Properties

Compound NameN-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
PubChem CID157103608
Molecular FormulaC60H72N4O6
Molecular Weight945.26 g/mol
Exact Mass944.55
IUPAC NameN-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCC1(CCN(Cc3ccc(C)cc3)C1)C2.COC(=O)c1ccc2c(c1)CCC1(CCNC1)C2.Cc1ccc(CN2CCC3(CCc4cc(C(=O)NO)ccc4C3)C2)cc1
InChIInChI=1S/C23H27NO2.C22H26N2O2.C15H19NO2/c1-17-3-5-18(6-4-17)15-24-12-11-23(16-24)10-9-19-13-20(22(25)26-2)7-8-21(19)14-23;1-16-2-4-17(5-3-16)14-24-11-10-22(15-24)9-8-18-12-19(21(25)23-26)6-7-20(18)13-22;1-18-14(17)12-2-3-13-9-15(6-7-16-10-15)5-4-11(13)8-12/h3-8,13H,9-12,14-16H2,1-2H3;2-7,12,26H,8-11,13-15H2,1H3,(H,23,25);2-3,8,16H,4-7,9-10H2,1H3
InChIKeyAGAVNKXKUOJEOZ-UHFFFAOYSA-N
XLogP9.60
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.26
LogP ≤ 59.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate with MolForge

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Related Compounds

methyl 4-[2-[[(3S,4S)-1-[4-[(3S,4S)-3,4-bis[2-(4-methoxycarbonylphenyl)ethylcarbamoyl]pyrrolidine-1-carbonyl]benzoyl]-4-[2-(4-methoxycarbonylphenyl)ethylcarbamoyl]pyrrolidine-3-carbonyl]amino]ethyl]benzoate
CID 171350738
N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate
CID 159849424
N-hydroxy-2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;2'-oxo-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylic acid
CID 167593186
1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
CID 167709765
Methyl 2-(1-adamantyl)-4-[6-(ethylcarbamoyl)naphthalen-2-yl]benzoate
CID 19429727
methyl 4-[[[(E)-3-phenylprop-2-enoyl]-[[3-[3-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]phenyl]methyl]amino]methyl]benzoate
CID 21987077
methyl 2,3-dihydro-1H-isoindole-5-carboxylate;methyl 2-(4-phenylbenzoyl)-1,3-dihydroisoindole-5-carboxylate
CID 66899891
methyl 4-[(3S,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carbonyl]benzoate
CID 68909865
methyl 4-[(3R,4S)-3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-4-phenylpyrrolidine-1-carbonyl]benzoate
CID 68909866
Methyl 4-[[3-phenylprop-2-enoyl-[[3-[3-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]phenyl]methyl]amino]methyl]benzoate
CID 69591496
[2-[[6-Aminohexyl-[[10-[[6-aminohexyl-[(2-boronophenyl)methyl]amino]methyl]-2-methoxycarbonylanthracen-9-yl]methyl]amino]methyl]phenyl]boronic acid
CID 87183068
Methyl 4-[4-[4-[2-(2-amino-2-oxoethyl)phenyl]-2-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-[2-(benzylamino)-2-oxoethyl]phenyl]-2-methylbenzoate
CID 123580226

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?
The IUPAC name of N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate (CID 157103608) is N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate.
What is the SMILES notation for N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?
The canonical SMILES for N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate is COC(=O)c1ccc2c(c1)CCC1(CCN(Cc3ccc(C)cc3)C1)C2.COC(=O)c1ccc2c(c1)CCC1(CCNC1)C2.Cc1ccc(CN2CCC3(CCc4cc(C(=O)NO)ccc4C3)C2)cc1.
What is the InChIKey of N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?
The InChIKey is AGAVNKXKUOJEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2.C22H26N2O2.C15H19NO2/c1-17-3-5-18(6-4-17)15-24-12-11-23(16-24)10-9-19-13-20(22(25)26-2)7-8-21(19)14-23;1-16-2-4-17(5-3-16)14-24-11-10-22(15-24)9-8-18-12-19(21(25)23-26)6-7-20(18)13-22;1-18-14(17)12-2-3-13-9-15(6-7-16-10-15)5-4-11(13)8-12/h3-8,13H,9-12,14-16H2,1-2H3;2-7,12,26H,8-11,13-15H2,1H3,(H,23,25);2-3,8,16H,4-7,9-10H2,1H3.
What are the key properties of N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?
N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate has a molecular weight of 945.26 g/mol, XLogP of 9.60, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-[(4-methylphenyl)methyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate is sourced from PubChem (CID 157103608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).