N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

C30H34N2O3 — CID 42424462

IUPACN-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1cccc(C[C@]2(CCC(=O)NCCC(c3ccccc3)c3ccccc3)CCC(=O)N2)c1
InChIInChI=1S/C30H34N2O3/c1-35-26-14-8-9-23(21-26)22-30(19-16-29(34)32-30)18-15-28(33)31-20-17-27(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,27H,15-20,22H2,1H3,(H,31,33)(H,32,34)/t30-/m0/s1
InChIKeyHPPVQODNSNIABE-PMERELPUSA-N
MW470.61 g/mol
LogP5.01
Rot. Bonds11

About N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 42424462) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
PubChem CID42424462
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC NameN-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1cccc(C[C@]2(CCC(=O)NCCC(c3ccccc3)c3ccccc3)CCC(=O)N2)c1
InChIInChI=1S/C30H34N2O3/c1-35-26-14-8-9-23(21-26)22-30(19-16-29(34)32-30)18-15-28(33)31-20-17-27(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,27H,15-20,22H2,1H3,(H,31,33)(H,32,34)/t30-/m0/s1
InChIKeyHPPVQODNSNIABE-PMERELPUSA-N
XLogP5.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-benzyl-5-oxopyrrolidin-2-yl]-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]propanamide
CID 125156631
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42321392
N-[2-(2-methoxyphenyl)ethyl]-3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 45183240
(5S)-5-[3-[(1S,5S)-6-azabicyclo[3.2.1]octan-6-yl]-3-oxopropyl]-5-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 98586907
(5R)-5-[3-[(1R,5R)-6-azabicyclo[3.2.1]octan-6-yl]-3-oxopropyl]-5-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 98336017
N-benzyl-3-[2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]propanamide
CID 45172145
3-[2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 45191753
N-[2-(furan-2-yl)ethyl]-3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26397502
N-[(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propyl]-3-[(2S)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42499256
N-[(3-chlorophenyl)methyl]-3-[(2R)-2-[(4-fluoro-3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26335072
N-[(2,3-dimethoxyphenyl)methyl]-3-[(2R)-5-oxo-2-[(4-phenylphenyl)methyl]pyrrolidin-2-yl]propanamide
CID 42451722
5-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3-oxopropyl]-5-[(3-methoxyphenyl)methyl]pyrrolidin-2-one
CID 45220106

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (CID 42424462) is N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is COc1cccc(C[C@]2(CCC(=O)NCCC(c3ccccc3)c3ccccc3)CCC(=O)N2)c1.
What is the InChIKey of N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is HPPVQODNSNIABE-PMERELPUSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-35-26-14-8-9-23(21-26)22-30(19-16-29(34)32-30)18-15-28(33)31-20-17-27(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,27H,15-20,22H2,1H3,(H,31,33)(H,32,34)/t30-/m0/s1.
What are the key properties of N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 470.61 g/mol, XLogP of 5.01, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 42424462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).