N-(3-phenylpropyl)cyclohexanecarboxamide

C16H23NO — CID 2163843

IUPACN-(3-phenylpropyl)cyclohexanecarboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H23NO/c18-16(15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,17,18)
InChIKeySNKRIYZXSMDMTH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.32
Rot. Bonds5

About N-(3-phenylpropyl)cyclohexanecarboxamide

N-(3-phenylpropyl)cyclohexanecarboxamide (PubChem CID 2163843) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(3-phenylpropyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)cyclohexanecarboxamide
PubChem CID2163843
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(3-phenylpropyl)cyclohexanecarboxamide
SMILESO=C(NCCCc1ccccc1)C1CCCCC1
InChIInChI=1S/C16H23NO/c18-16(15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,17,18)
InChIKeySNKRIYZXSMDMTH-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.32
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

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N-(Phenylmethyl)hexadecanamide
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F 1459
CID 162185
Myramistin
CID 72949
Desmethyl diphenamid
CID 70381
N-Phenethyl-3-phenyl-acrylamide
CID 795855
N-Benzyloleamide
CID 49865534
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CID 68741582

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)cyclohexanecarboxamide?
The IUPAC name of N-(3-phenylpropyl)cyclohexanecarboxamide (CID 2163843) is N-(3-phenylpropyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-phenylpropyl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-phenylpropyl)cyclohexanecarboxamide is O=C(NCCCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-(3-phenylpropyl)cyclohexanecarboxamide?
The InChIKey is SNKRIYZXSMDMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H,17,18).
What are the key properties of N-(3-phenylpropyl)cyclohexanecarboxamide?
N-(3-phenylpropyl)cyclohexanecarboxamide has a molecular weight of 245.37 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)cyclohexanecarboxamide is sourced from PubChem (CID 2163843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).