3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide

C16H21N3O — CID 67833765

IUPAC3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide
SMILESCc1ccc(CC(C)NC(=O)CCc2ncc[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-12-3-5-14(6-4-12)11-13(2)19-16(20)8-7-15-17-9-10-18-15/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPKSXPXCJGXPAHL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.40
Rot. Bonds6

About 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide

3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide (PubChem CID 67833765) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide
PubChem CID67833765
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide
SMILESCc1ccc(CC(C)NC(=O)CCc2ncc[nH]2)cc1
InChIInChI=1S/C16H21N3O/c1-12-3-5-14(6-4-12)11-13(2)19-16(20)8-7-15-17-9-10-18-15/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPKSXPXCJGXPAHL-UHFFFAOYSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-imidazol-2-yl)propyl]-1-(4-methylphenyl)propan-2-amine
CID 67833845
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
CID 68743487
3-(1H-imidazol-2-yl)propanoic acid
CID 175951913
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(4-fluorophenyl)-2-[3-(1H-imidazol-2-yl)propanoylamino]propanamide
CID 67207549
4-chloro-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 63308194
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]-4-methylbenzamide
CID 115670758
N-[(2S)-1-(4-bromophenyl)propan-2-yl]-3-phenylpropanamide
CID 51948784
2-amino-N-[3-(1H-imidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide
CID 106312735
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 123862391
2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]acetamide;hydrochloride
CID 119316433
N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide
CID 14208412

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide?
The IUPAC name of 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide (CID 67833765) is 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide?
The canonical SMILES for 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide is Cc1ccc(CC(C)NC(=O)CCc2ncc[nH]2)cc1.
What is the InChIKey of 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide?
The InChIKey is PKSXPXCJGXPAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-3-5-14(6-4-12)11-13(2)19-16(20)8-7-15-17-9-10-18-15/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide?
3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-2-yl)-N-[1-(4-methylphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 67833765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).