1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C16H22N2O3 — CID 113182204

IUPAC1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)Nc2cccc(OC)c2)CC1=O
InChIInChI=1S/C16H22N2O3/c1-4-11(2)18-10-12(8-15(18)19)16(20)17-13-6-5-7-14(9-13)21-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,17,20)
InChIKeyKNGVMFDYVCTCJE-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.28
Rot. Bonds5

About 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113182204) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113182204
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCC(C)N1CC(C(=O)Nc2cccc(OC)c2)CC1=O
InChIInChI=1S/C16H22N2O3/c1-4-11(2)18-10-12(8-15(18)19)16(20)17-13-6-5-7-14(9-13)21-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,17,20)
InChIKeyKNGVMFDYVCTCJE-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-methoxyphenyl)-1-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9365141
1-butan-2-yl-N-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182191
1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182236
(3R)-N-(3-methoxyphenyl)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 1260369
N-[4-[(3-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 17119791
(3S)-N-(3-chlorophenyl)-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41066163
1-butan-2-yl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113182244
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
1-(2,6-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3160156
(3S)-1-(3,4-dimethylphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9393016
(3S)-1-benzyl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 34363990
1-butan-2-yl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 113182243

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113182204) is 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCC(C)N1CC(C(=O)Nc2cccc(OC)c2)CC1=O.
What is the InChIKey of 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KNGVMFDYVCTCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-11(2)18-10-12(8-15(18)19)16(20)17-13-6-5-7-14(9-13)21-3/h5-7,9,11-12H,4,8,10H2,1-3H3,(H,17,20).
What are the key properties of 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113182204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).