1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide

C16H20N2O — CID 110691242

IUPAC1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)n(C)c2C)cc1
InChIInChI=1S/C16H20N2O/c1-11-5-7-14(8-6-11)10-17-16(19)15-9-12(2)18(4)13(15)3/h5-9H,10H2,1-4H3,(H,17,19)
InChIKeyINJFUJDIWZORSH-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.88
Rot. Bonds3

About 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide

1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide (PubChem CID 110691242) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
PubChem CID110691242
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(C)n(C)c2C)cc1
InChIInChI=1S/C16H20N2O/c1-11-5-7-14(8-6-11)10-17-16(19)15-9-12(2)18(4)13(15)3/h5-9H,10H2,1-4H3,(H,17,19)
InChIKeyINJFUJDIWZORSH-UHFFFAOYSA-N
XLogP2.88
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-[(4-methylphenyl)methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 86983280
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
N-benzyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethoxy]benzamide
CID 17411419
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691269
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
CID 6625310
5-bromo-2-hydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 27163181
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 97244759
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide (CID 110691242) is 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide is Cc1ccc(CNC(=O)c2cc(C)n(C)c2C)cc1.
What is the InChIKey of 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide?
The InChIKey is INJFUJDIWZORSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-5-7-14(8-6-11)10-17-16(19)15-9-12(2)18(4)13(15)3/h5-9H,10H2,1-4H3,(H,17,19).
What are the key properties of 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide?
1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethyl-N-[(4-methylphenyl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 110691242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).