2-cyclohexyl-N-(3-phenylpropyl)acetamide

C17H25NO — CID 59168672

IUPAC2-cyclohexyl-N-(3-phenylpropyl)acetamide
SMILESO=C(CC1CCCCC1)NCCCc1ccccc1
InChIInChI=1S/C17H25NO/c19-17(14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2,(H,18,19)
InChIKeyJXMRKXVCPJBWIN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.71
Rot. Bonds6

About 2-cyclohexyl-N-(3-phenylpropyl)acetamide

2-cyclohexyl-N-(3-phenylpropyl)acetamide (PubChem CID 59168672) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-phenylpropyl)acetamide
PubChem CID59168672
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-cyclohexyl-N-(3-phenylpropyl)acetamide
SMILESO=C(CC1CCCCC1)NCCCc1ccccc1
InChIInChI=1S/C17H25NO/c19-17(14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2,(H,18,19)
InChIKeyJXMRKXVCPJBWIN-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-2-piperidin-4-ylacetamide
CID 60905850
1-(2-cyclopentylethyl)-3-(3-phenylpropyl)urea
CID 55570336
2-[4-(dimethylamino)-4-phenylcyclohexyl]-N-(3-phenylpropyl)acetamide;hydrochloride
CID 11517237
N-[2-(4-chlorophenyl)ethyl]-2-cyclohexylacetamide
CID 112789122
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 46294928
2-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)acetamide
CID 50875448
N-[2-[2-aminoethyl(2-phenylethyl)amino]-2-oxoethyl]-2-cyclohexylacetamide;hydrochloride
CID 120886231
N-(3-amino-3-phenylpropyl)-2-cycloheptylacetamide
CID 114458464
3-phenylpropyl N-(3-cycloheptylpropyl)carbamate
CID 54329594
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374
trans-(1S,2S)-2-(3-phenylpropylcarbamoyl)cyclohexane-1-carboxylate
CID 2165135

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-(3-phenylpropyl)acetamide (CID 59168672) is 2-cyclohexyl-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-(3-phenylpropyl)acetamide is O=C(CC1CCCCC1)NCCCc1ccccc1.
What is the InChIKey of 2-cyclohexyl-N-(3-phenylpropyl)acetamide?
The InChIKey is JXMRKXVCPJBWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c19-17(14-16-10-5-2-6-11-16)18-13-7-12-15-8-3-1-4-9-15/h1,3-4,8-9,16H,2,5-7,10-14H2,(H,18,19).
What are the key properties of 2-cyclohexyl-N-(3-phenylpropyl)acetamide?
2-cyclohexyl-N-(3-phenylpropyl)acetamide has a molecular weight of 259.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 59168672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).