(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C20H22N2O5 — CID 40634799

IUPAC(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-25-16-10-14(11-17(26-2)19(16)27-3)21-20(24)13-9-18(23)22(12-13)15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyPRLQCSPGKKLIFU-ZDUSSCGKSA-N
MW370.41 g/mol
LogP2.70
Rot. Bonds6

About (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 40634799) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID40634799
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC
InChIInChI=1S/C20H22N2O5/c1-25-16-10-14(11-17(26-2)19(16)27-3)21-20(24)13-9-18(23)22(12-13)15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,24)/t13-/m0/s1
InChIKeyPRLQCSPGKKLIFU-ZDUSSCGKSA-N
XLogP2.70
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 6484633
(3R)-1-(3,4-dimethylphenyl)-5-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 7438951
methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]benzoate
CID 46586528
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55624339
(3R)-N-(4-methylsulfonylphenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 30840186
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
methyl 4,5-dimethoxy-2-[(5-oxo-1-phenylpyrrolidine-3-carbonyl)amino]benzoate
CID 46687125
(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 39299821
5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55879064
N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780336
1-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 40964149
(3R)-N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40569713

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 40634799) is (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc(OC)c1OC.
What is the InChIKey of (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is PRLQCSPGKKLIFU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-16-10-14(11-17(26-2)19(16)27-3)21-20(24)13-9-18(23)22(12-13)15-7-5-4-6-8-15/h4-8,10-11,13H,9,12H2,1-3H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 40634799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).