N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide

C17H18N2O5 — CID 7255751

IUPACN-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3ccco3)CC2=O)cc1OC
InChIInChI=1S/C17H18N2O5/c1-22-13-6-5-12(9-15(13)23-2)19-10-11(8-16(19)20)18-17(21)14-4-3-7-24-14/h3-7,9,11H,8,10H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyGQAMVRUKJZECQI-NSHDSACASA-N
MW330.34 g/mol
LogP1.83
Rot. Bonds5

About N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide

N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide (PubChem CID 7255751) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
PubChem CID7255751
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3ccco3)CC2=O)cc1OC
InChIInChI=1S/C17H18N2O5/c1-22-13-6-5-12(9-15(13)23-2)19-10-11(8-16(19)20)18-17(21)14-4-3-7-24-14/h3-7,9,11H,8,10H2,1-2H3,(H,18,21)/t11-/m0/s1
InChIKeyGQAMVRUKJZECQI-NSHDSACASA-N
XLogP1.83
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 26918816
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 7255754
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 18572772
4-bromo-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971347
3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564303
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 43971351
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 18573415
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
1-benzyl-3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1-propan-2-ylurea
CID 7552374

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide (CID 7255751) is N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide is COc1ccc(N2C[C@@H](NC(=O)c3ccco3)CC2=O)cc1OC.
What is the InChIKey of N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
The InChIKey is GQAMVRUKJZECQI-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N2O5/c1-22-13-6-5-12(9-15(13)23-2)19-10-11(8-16(19)20)18-17(21)14-4-3-7-24-14/h3-7,9,11H,8,10H2,1-2H3,(H,18,21)/t11-/m0/s1.
What are the key properties of N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide?
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 7255751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).