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

C19H20N2O3 — CID 2964408

IUPACN-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-16(8-10-17)21-13-15(11-18(21)22)19(23)20-12-14-5-3-2-4-6-14/h2-10,15H,11-13H2,1H3,(H,20,23)
InChIKeyMQCIYEHPWXGFBM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.36
Rot. Bonds5

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

N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2964408) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2964408
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccccc3)CC2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-24-17-9-7-16(8-10-17)21-13-15(11-18(21)22)19(23)20-12-14-5-3-2-4-6-14/h2-10,15H,11-13H2,1H3,(H,20,23)
InChIKeyMQCIYEHPWXGFBM-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912
1-(4-methoxyphenyl)-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46921260
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124749019
(3S)-1-[4-(2-anilino-2-oxoethoxy)phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976963
(3R)-N-[2-(benzylcarbamoyl)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1006938
1-(4-methoxyphenyl)-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46109930
N-[[2-(methoxymethyl)phenyl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134023238
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
(3S)-N-ethyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673036
(3S)-1-[4-[(4-fluorophenyl)methoxy]phenyl]-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 40976973

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 2964408) is N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCc3ccccc3)CC2=O)cc1.
What is the InChIKey of N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MQCIYEHPWXGFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-17-9-7-16(8-10-17)21-13-15(11-18(21)22)19(23)20-12-14-5-3-2-4-6-14/h2-10,15H,11-13H2,1H3,(H,20,23).
What are the key properties of N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2964408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).