N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide

C15H19N3O2 — CID 110467375

IUPACN-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2nccn2C)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,11-5-7-12(20-4)8-6-11)17-14(19)13-16-9-10-18(13)3/h5-10H,1-4H3,(H,17,19)
InChIKeyFUAPFSREQWHOCI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.09
Rot. Bonds4

About N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide

N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide (PubChem CID 110467375) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide
PubChem CID110467375
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide
SMILESCOc1ccc(C(C)(C)NC(=O)c2nccn2C)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,11-5-7-12(20-4)8-6-11)17-14(19)13-16-9-10-18(13)3/h5-10H,1-4H3,(H,17,19)
InChIKeyFUAPFSREQWHOCI-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-4-carboxamide
CID 110444865
4-methoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 17427516
N-[2-(4-methoxyphenyl)propan-2-yl]pyridine-3-carboxamide
CID 110442879
4-methoxy-2-[(1-methylimidazole-2-carbonyl)amino]benzoic acid
CID 110467377
4-acetamido-N-[2-(4-methoxyphenyl)propan-2-yl]benzamide
CID 110445289
N-[2-(4-methoxyphenyl)propan-2-yl]-2H-triazole-4-carboxamide
CID 110475495
N-[2-(4-methoxyphenyl)propan-2-yl]-4-(2-methylpropoxy)benzamide
CID 110440877
(2E)-2-hydroxyimino-1-(4-methoxyphenyl)-2-(1-methylimidazol-2-yl)ethanone
CID 171986145
2,5-dimethoxy-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 18192820
(3S)-3-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)butan-1-one
CID 122382823
tert-butyl (2S,3S)-2-(4-methoxyanilino)-4-(1-methylimidazol-2-yl)-4-oxo-3-phenylbutanoate
CID 122384106
N-[2-(4-methoxyphenyl)propan-2-yl]-3H-benzimidazole-5-carboxamide
CID 110444797

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide (CID 110467375) is N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide is COc1ccc(C(C)(C)NC(=O)c2nccn2C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide?
The InChIKey is FUAPFSREQWHOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,11-5-7-12(20-4)8-6-11)17-14(19)13-16-9-10-18(13)3/h5-10H,1-4H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide?
N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)propan-2-yl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 110467375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).