N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide

C15H18N2O3 — CID 58652883

IUPACN-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCOC1=C(C(=O)N(C)Cc2ccccc2)CN(C)C1=O
InChIInChI=1S/C15H18N2O3/c1-16(9-11-7-5-4-6-8-11)14(18)12-10-17(2)15(19)13(12)20-3/h4-8H,9-10H2,1-3H3
InChIKeyOVTLOWVRIZMOAW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.02
Rot. Bonds4

About N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide

N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 58652883) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID58652883
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide
SMILESCOC1=C(C(=O)N(C)Cc2ccccc2)CN(C)C1=O
InChIInChI=1S/C15H18N2O3/c1-16(9-11-7-5-4-6-8-11)14(18)12-10-17(2)15(19)13(12)20-3/h4-8H,9-10H2,1-3H3
InChIKeyOVTLOWVRIZMOAW-UHFFFAOYSA-N
XLogP1.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane
CID 90842921
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
2-[benzyl(methyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270852
4-hydroxy-N,1-dimethyl-N-(naphthalen-1-ylmethyl)-5-oxo-2H-pyrrole-3-carboxamide
CID 54704610
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
N-benzyl-3,4,5-trimethoxy-N-methylbenzamide
CID 669607
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-methylbenzamide
CID 4937254
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
N-benzyl-4-methoxy-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742269
N-benzyl-N-methyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046086
4-amino-N-benzyl-3-methoxy-N-methylbenzamide
CID 104782312

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide (CID 58652883) is N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide is COC1=C(C(=O)N(C)Cc2ccccc2)CN(C)C1=O.
What is the InChIKey of N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is OVTLOWVRIZMOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16(9-11-7-5-4-6-8-11)14(18)12-10-17(2)15(19)13(12)20-3/h4-8H,9-10H2,1-3H3.
What are the key properties of N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide?
N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 58652883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).