3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide

C18H23N3O2 — CID 113116695

IUPAC3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-14(22)21(17-5-3-2-4-6-17)12-11-18(23)20-16-9-7-15(13-19)8-10-16/h7-10,17H,2-6,11-12H2,1H3,(H,20,23)
InChIKeyWKKVPJJBWVDCIG-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.07
Rot. Bonds5

About 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide

3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide (PubChem CID 113116695) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
PubChem CID113116695
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-14(22)21(17-5-3-2-4-6-17)12-11-18(23)20-16-9-7-15(13-19)8-10-16/h7-10,17H,2-6,11-12H2,1H3,(H,20,23)
InChIKeyWKKVPJJBWVDCIG-UHFFFAOYSA-N
XLogP3.07
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137514
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113116612
N-(4-acetamidophenyl)-3-[acetyl(cyclopropyl)amino]propanamide
CID 113115459
3-[acetyl(cyclohexyl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113116640
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
N-(4-cyanophenyl)-3-[cyclobutylmethyl(ethyl)amino]propanamide
CID 107398731
N-(4-cyanophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264950
N-(4-cyanophenyl)-2-[cyclopropyl(methyl)amino]acetamide
CID 43243615
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
3-[acetyl(cyclohexyl)amino]-N-(4-bromo-3-methylphenyl)propanamide
CID 113116671
3-[acetyl(cycloheptyl)amino]-N-(3-methylphenyl)propanamide
CID 113122702
3-[acetyl(2-methoxyethyl)amino]-N-(4-cyanophenyl)propanamide
CID 113117060

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide (CID 113116695) is 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1.
What is the InChIKey of 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide?
The InChIKey is WKKVPJJBWVDCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(22)21(17-5-3-2-4-6-17)12-11-18(23)20-16-9-7-15(13-19)8-10-16/h7-10,17H,2-6,11-12H2,1H3,(H,20,23).
What are the key properties of 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide?
3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(cyclohexyl)amino]-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 113116695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).