1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide

C18H25N3O — CID 119503745

IUPAC1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide
SMILESCNCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C
InChIInChI=1S/C18H25N3O/c1-12-8-13(2)10-16(9-12)21-14(3)11-17(15(21)4)18(22)20-7-6-19-5/h8-11,19H,6-7H2,1-5H3,(H,20,22)
InChIKeyJMIYBDGAGYMYOL-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.66
Rot. Bonds5

About 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide

1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide (PubChem CID 119503745) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide
PubChem CID119503745
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide
SMILESCNCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C
InChIInChI=1S/C18H25N3O/c1-12-8-13(2)10-16(9-12)21-14(3)11-17(15(21)4)18(22)20-7-6-19-5/h8-11,19H,6-7H2,1-5H3,(H,20,22)
InChIKeyJMIYBDGAGYMYOL-UHFFFAOYSA-N
XLogP2.66
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[2-(methylamino)ethyl]-1-(3-methylphenyl)pyrrole-3-carboxamide;hydrochloride
CID 119502830
1-(4-bromophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide
CID 119503905
1-(4-fluorophenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide;hydrochloride
CID 119502796
1-(4-fluorophenyl)-2,5-dimethyl-N-[3-(methylamino)propyl]pyrrole-3-carboxamide;hydrochloride
CID 119432577
4-[[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542137
N-(3-methoxypropyl)-2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7709094
2,5-dimethyl-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119502208
1-(4-methoxyphenyl)-2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrole-3-carboxamide
CID 35353199
5-[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]pentanoic acid
CID 119234907
2,5-dimethyl-1-(3-methylphenyl)-N-(2-piperazin-1-ylethyl)pyrrole-3-carboxamide
CID 119447744
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
1-(4-bromophenyl)-N-(3-methoxypropyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55532311

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide (CID 119503745) is 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide is CNCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide?
The InChIKey is JMIYBDGAGYMYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-12-8-13(2)10-16(9-12)21-14(3)11-17(15(21)4)18(22)20-7-6-19-5/h8-11,19H,6-7H2,1-5H3,(H,20,22).
What are the key properties of 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide?
1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide has a molecular weight of 299.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2,5-dimethyl-N-[2-(methylamino)ethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 119503745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).