N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

C24H24N2O2 — CID 32578013

IUPACN-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C24H24N2O2/c1-16-22-19(13-8-14-21(22)27)25-23(16)24(28)26-20(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12,20,25H,8,13-15H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyPKIFDWDFPMKSPO-HXUWFJFHSA-N
MW372.47 g/mol
LogP4.56
Rot. Bonds5

About N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide

N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 32578013) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID32578013
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C24H24N2O2/c1-16-22-19(13-8-14-21(22)27)25-23(16)24(28)26-20(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12,20,25H,8,13-15H2,1H3,(H,26,28)/t20-/m1/s1
InChIKeyPKIFDWDFPMKSPO-HXUWFJFHSA-N
XLogP4.56
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide with MolForge

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Related Compounds

(2R)-2-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 119367299
methyl 3-(4-fluorophenyl)-3-[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]propanoate
CID 55996604
3-methyl-4-oxo-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
CID 55840479
N-(1-benzylpiperidin-4-yl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 37345240
N-(benzhydrylideneamino)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 24574939
N-[1-(1H-benzimidazol-2-yl)ethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 71944357
N-[4-(furan-2-carbonylamino)phenyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 31011246
5-[[(3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245911
3-methyl-N-[2-(methylamino)propyl]-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 120827064
3-methyl-N-(6-methyl-2-pyridinyl)-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 35505129
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide
CID 47082963
2-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-3-methyl-1,5,6,7-tetrahydroindol-4-one
CID 134006212

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide (CID 32578013) is N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is PKIFDWDFPMKSPO-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-16-22-19(13-8-14-21(22)27)25-23(16)24(28)26-20(18-11-6-3-7-12-18)15-17-9-4-2-5-10-17/h2-7,9-12,20,25H,8,13-15H2,1H3,(H,26,28)/t20-/m1/s1.
What are the key properties of N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide?
N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2-diphenylethyl]-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 32578013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).