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

C17H24N2O3 — CID 90842921

IUPACN-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane
SMILESCC.COC1=C(C(=O)N(C)Cc2ccccc2)CN(C)C1=O
InChIInChI=1S/C15H18N2O3.C2H6/c1-16(9-11-7-5-4-6-8-11)14(18)12-10-17(2)15(19)13(12)20-3;1-2/h4-8H,9-10H2,1-3H3;1-2H3
InChIKeyXQLJOZQJICKSHN-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.04
Rot. Bonds4

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

N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane (PubChem CID 90842921) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane
PubChem CID90842921
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane
SMILESCC.COC1=C(C(=O)N(C)Cc2ccccc2)CN(C)C1=O
InChIInChI=1S/C15H18N2O3.C2H6/c1-16(9-11-7-5-4-6-8-11)14(18)12-10-17(2)15(19)13(12)20-3;1-2/h4-8H,9-10H2,1-3H3;1-2H3
InChIKeyXQLJOZQJICKSHN-UHFFFAOYSA-N
XLogP2.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.04
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
CID 58652883
2-[benzyl(methyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270852
N-benzyl-2,6-dimethoxy-N-methylbenzamide
CID 3333869
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;ethane?
The IUPAC name of N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane (CID 90842921) is N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane.
What is the SMILES notation for N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane?
The canonical SMILES for N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane is CC.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;ethane?
The InChIKey is XQLJOZQJICKSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3.C2H6/c1-16(9-11-7-5-4-6-8-11)14(18)12-10-17(2)15(19)13(12)20-3;1-2/h4-8H,9-10H2,1-3H3;1-2H3.
What are the key properties of N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane?
N-benzyl-4-methoxy-N,1-dimethyl-5-oxo-2H-pyrrole-3-carboxamide;ethane has a molecular weight of 304.39 g/mol, XLogP of 2.04, 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;ethane is sourced from PubChem (CID 90842921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).