(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C14H18N2O3 — CID 673036

IUPAC(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H18N2O3/c1-3-15-14(18)10-8-13(17)16(9-10)11-4-6-12(19-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyIZEYBWJDNZKEFV-JTQLQIEISA-N
MW262.31 g/mol
LogP1.18
Rot. Bonds4

About (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 673036) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID673036
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C14H18N2O3/c1-3-15-14(18)10-8-13(17)16(9-10)11-4-6-12(19-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)/t10-/m0/s1
InChIKeyIZEYBWJDNZKEFV-JTQLQIEISA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42652621
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 17309359
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785674
1-(4-methoxyphenyl)-5-oxo-N-(piperidin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 122174403
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785660
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46921260
N-(3-aminopropyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119408774
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
3-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249977
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239

Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 673036) is (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IZEYBWJDNZKEFV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-15-14(18)10-8-13(17)16(9-10)11-4-6-12(19-2)7-5-11/h4-7,10H,3,8-9H2,1-2H3,(H,15,18)/t10-/m0/s1.
What are the key properties of (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 673036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).