N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide

C17H18N2O4 — CID 95217188

IUPACN-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
SMILESCOc1ccccc1N1C[C@@H](NC(=O)c2occc2C)CC1=O
InChIInChI=1S/C17H18N2O4/c1-11-7-8-23-16(11)17(21)18-12-9-15(20)19(10-12)13-5-3-4-6-14(13)22-2/h3-8,12H,9-10H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyVPHPSPFSQLVKKT-LBPRGKRZSA-N
MW314.34 g/mol
LogP2.13
Rot. Bonds4

About N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide

N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide (PubChem CID 95217188) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
PubChem CID95217188
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC NameN-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
SMILESCOc1ccccc1N1C[C@@H](NC(=O)c2occc2C)CC1=O
InChIInChI=1S/C17H18N2O4/c1-11-7-8-23-16(11)17(21)18-12-9-15(20)19(10-12)13-5-3-4-6-14(13)22-2/h3-8,12H,9-10H2,1-2H3,(H,18,21)/t12-/m0/s1
InChIKeyVPHPSPFSQLVKKT-LBPRGKRZSA-N
XLogP2.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 51598299
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99937887
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 97137286
(2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 51584425
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
2-(cyclopenten-1-yl)-N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 119063709
(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 51583799
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 126446149
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95134783
N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 118762016
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide
CID 51587523

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide (CID 95217188) is N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide is COc1ccccc1N1C[C@@H](NC(=O)c2occc2C)CC1=O.
What is the InChIKey of N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
The InChIKey is VPHPSPFSQLVKKT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-11-7-8-23-16(11)17(21)18-12-9-15(20)19(10-12)13-5-3-4-6-14(13)22-2/h3-8,12H,9-10H2,1-2H3,(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide?
N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide has a molecular weight of 314.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 95217188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).