3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide

C21H29N3O — CID 110442119

IUPAC3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(C(NC(=O)CCC2CCCCC2)c2nccn2C)c1
InChIInChI=1S/C21H29N3O/c1-16-7-6-10-18(15-16)20(21-22-13-14-24(21)2)23-19(25)12-11-17-8-4-3-5-9-17/h6-7,10,13-15,17,20H,3-5,8-9,11-12H2,1-2H3,(H,23,25)
InChIKeyRNLGJTJYROIUHH-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.29
Rot. Bonds6

About 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide

3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide (PubChem CID 110442119) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide
PubChem CID110442119
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(C(NC(=O)CCC2CCCCC2)c2nccn2C)c1
InChIInChI=1S/C21H29N3O/c1-16-7-6-10-18(15-16)20(21-22-13-14-24(21)2)23-19(25)12-11-17-8-4-3-5-9-17/h6-7,10,13-15,17,20H,3-5,8-9,11-12H2,1-2H3,(H,23,25)
InChIKeyRNLGJTJYROIUHH-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
CID 110442102
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110440374
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46647829
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 25334647
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55533026
4-(cyclohexylmethyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 55913040

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide (CID 110442119) is 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide is Cc1cccc(C(NC(=O)CCC2CCCCC2)c2nccn2C)c1.
What is the InChIKey of 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide?
The InChIKey is RNLGJTJYROIUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16-7-6-10-18(15-16)20(21-22-13-14-24(21)2)23-19(25)12-11-17-8-4-3-5-9-17/h6-7,10,13-15,17,20H,3-5,8-9,11-12H2,1-2H3,(H,23,25).
What are the key properties of 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide?
3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide has a molecular weight of 339.48 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 110442119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).