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

C21H24N2O6 — CID 38002802

IUPAC(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2C[C@@H](C(=O)NOCc3ccccc3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C21H24N2O6/c1-26-17-10-16(11-18(27-2)20(17)28-3)23-12-15(9-19(23)24)21(25)22-29-13-14-7-5-4-6-8-14/h4-8,10-11,15H,9,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyOACRASASAGKYMM-HNNXBMFYSA-N
MW400.43 g/mol
LogP2.31
Rot. Bonds8

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

(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 38002802) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is (3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID38002802
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2C[C@@H](C(=O)NOCc3ccccc3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C21H24N2O6/c1-26-17-10-16(11-18(27-2)20(17)28-3)23-12-15(9-19(23)24)21(25)22-29-13-14-7-5-4-6-8-14/h4-8,10-11,15H,9,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1
InChIKeyOACRASASAGKYMM-HNNXBMFYSA-N
XLogP2.31
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
5-oxo-N-(6-phenylmethoxy-3-pyridinyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55879064
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780336
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
5-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578254
1-(2-bromophenyl)-5-oxo-N-phenylmethoxypyrrolidine-3-carboxamide
CID 42952999
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
N-(furan-3-ylmethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55702367

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 38002802) is (3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2C[C@@H](C(=O)NOCc3ccccc3)CC2=O)cc(OC)c1OC.
What is the InChIKey of (3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is OACRASASAGKYMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-26-17-10-16(11-18(27-2)20(17)28-3)23-12-15(9-19(23)24)21(25)22-29-13-14-7-5-4-6-8-14/h4-8,10-11,15H,9,12-13H2,1-3H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-phenylmethoxy-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 38002802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).