N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide

C16H20N2O — CID 110691243

IUPACN-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)c(C)n1C
InChIInChI=1S/C16H20N2O/c1-12-10-15(13(2)18(12)4)16(19)17(3)11-14-8-6-5-7-9-14/h5-10H,11H2,1-4H3
InChIKeyIUFKEADYLZCJFF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.91
Rot. Bonds3

About N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide

N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide (PubChem CID 110691243) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
PubChem CID110691243
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2)c(C)n1C
InChIInChI=1S/C16H20N2O/c1-12-10-15(13(2)18(12)4)16(19)17(3)11-14-8-6-5-7-9-14/h5-10H,11H2,1-4H3
InChIKeyIUFKEADYLZCJFF-UHFFFAOYSA-N
XLogP2.91
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 30281388
N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,1,2,5-tetramethylpyrrole-3-carboxamide
CID 135095648
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
2-[methyl-[(4-methylphenyl)methyl]carbamoyl]benzoic acid
CID 28798661
N-benzyl-4-chloro-2-fluoro-N-methylbenzamide
CID 94370486
N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide
CID 143307644
N-benzyl-N,1-dimethyl-3-methylsulfanylpyrazole-4-carboxamide
CID 75399076
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide?
The IUPAC name of N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide (CID 110691243) is N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2)c(C)n1C.
What is the InChIKey of N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide?
The InChIKey is IUFKEADYLZCJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-10-15(13(2)18(12)4)16(19)17(3)11-14-8-6-5-7-9-14/h5-10H,11H2,1-4H3.
What are the key properties of N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide?
N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,1,2,5-tetramethylpyrrole-3-carboxamide is sourced from PubChem (CID 110691243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).