N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide

C19H25N3O — CID 14208412

IUPACN-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCc1ncc[nH]1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H25N3O/c23-18(12-11-17-20-13-14-21-17)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,13-14,16,19H,2,5-6,9-12H2,(H,20,21)(H,22,23)
InChIKeyPEAAYIBQPHRMIH-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.78
Rot. Bonds6

About N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide

N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide (PubChem CID 14208412) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide
PubChem CID14208412
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide
SMILESO=C(CCc1ncc[nH]1)NC(c1ccccc1)C1CCCCC1
InChIInChI=1S/C19H25N3O/c23-18(12-11-17-20-13-14-21-17)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,13-14,16,19H,2,5-6,9-12H2,(H,20,21)(H,22,23)
InChIKeyPEAAYIBQPHRMIH-UHFFFAOYSA-N
XLogP3.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-cyclopropyl(phenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)propanamide
CID 95973818
3-chloro-N-[cyclohexyl(phenyl)methyl]propanamide
CID 14208386
N-[(S)-cyclohexyl(phenyl)methyl]-2-ethylsulfonylacetamide
CID 94493852
2-acetamido-N-[2-[[cyclohexyl(phenyl)methyl]amino]-2-oxoethyl]acetamide
CID 51091250
N-[cyclohexyl(phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 71336050
3-amino-N-[cyclopentyl(phenyl)methyl]butanamide
CID 119737377
2-cyclohexyl-2-(1H-imidazol-2-ylmethylcarbamoylamino)acetic acid
CID 64523352
N-[(R)-cyclohexyl(phenyl)methyl]cyclobutanecarboxamide
CID 39025533
N-[(R)-cyclopropyl(phenyl)methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 99797989
N-[cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 47031415
N-[(S)-cyclohexyl(phenyl)methyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 52501297
3-amino-N-[cyclobutyl(phenyl)methyl]-3-phenylpropanamide
CID 119951252

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide?
The IUPAC name of N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide (CID 14208412) is N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide.
What is the SMILES notation for N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide?
The canonical SMILES for N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide is O=C(CCc1ncc[nH]1)NC(c1ccccc1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide?
The InChIKey is PEAAYIBQPHRMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c23-18(12-11-17-20-13-14-21-17)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1,3-4,7-8,13-14,16,19H,2,5-6,9-12H2,(H,20,21)(H,22,23).
What are the key properties of N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide?
N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl(phenyl)methyl]-3-(1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 14208412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).