1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide

C26H26N2O3 — CID 46527621

IUPAC1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-31-23-14-12-21(13-15-23)25(20-10-6-3-7-11-20)27-26(30)22-16-24(29)28(18-22)17-19-8-4-2-5-9-19/h2-15,22,25H,16-18H2,1H3,(H,27,30)
InChIKeyPIHAJRVCIZTFMV-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.95
Rot. Bonds7

About 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 46527621) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID46527621
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c2ccccc2)cc1
InChIInChI=1S/C26H26N2O3/c1-31-23-14-12-21(13-15-23)25(20-10-6-3-7-11-20)27-26(30)22-16-24(29)28(18-22)17-19-8-4-2-5-9-19/h2-15,22,25H,16-18H2,1H3,(H,27,30)
InChIKeyPIHAJRVCIZTFMV-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[(1R)-1,2-diphenylethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017858
2-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119197288
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95280870
(3R)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 35672749
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
(3R)-1-[(4-methoxyphenyl)methyl]-N-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 97351337
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 93017903
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528
(3S)-1-[(4-methoxyphenyl)methyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93017883
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109700

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide (CID 46527621) is 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(C(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PIHAJRVCIZTFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-31-23-14-12-21(13-15-23)25(20-10-6-3-7-11-20)27-26(30)22-16-24(29)28(18-22)17-19-8-4-2-5-9-19/h2-15,22,25H,16-18H2,1H3,(H,27,30).
What are the key properties of 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46527621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).