N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

C20H25N3O3 — CID 46393972

IUPACN-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)cn(C)c2CC(=O)N2CCCC2)c1
InChIInChI=1S/C20H25N3O3/c1-14-13-22(2)17(12-18(24)23-9-4-5-10-23)19(14)20(25)21-15-7-6-8-16(11-15)26-3/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,21,25)
InChIKeyJHQSHSLEITXVPQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.76
Rot. Bonds5

About N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide

N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (PubChem CID 46393972) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
PubChem CID46393972
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2c(C)cn(C)c2CC(=O)N2CCCC2)c1
InChIInChI=1S/C20H25N3O3/c1-14-13-22(2)17(12-18(24)23-9-4-5-10-23)19(14)20(25)21-15-7-6-8-16(11-15)26-3/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,21,25)
InChIKeyJHQSHSLEITXVPQ-UHFFFAOYSA-N
XLogP2.76
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 34085005
2-[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]-1-pyrrolidin-1-ylethanone
CID 52906255
N-(3-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102944
N-(3-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 71838091
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
5-amino-2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]benzamide
CID 120621130
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
N-(3-methoxyphenyl)-4-[3-(3-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-1-carboxamide
CID 138386527
N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
CID 46995483
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
N-(3-methoxyphenyl)-5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 3345881

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide (CID 46393972) is N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is COc1cccc(NC(=O)c2c(C)cn(C)c2CC(=O)N2CCCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
The InChIKey is JHQSHSLEITXVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-13-22(2)17(12-18(24)23-9-4-5-10-23)19(14)20(25)21-15-7-6-8-16(11-15)26-3/h6-8,11,13H,4-5,9-10,12H2,1-3H3,(H,21,25).
What are the key properties of N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide?
N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-1,4-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 46393972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).