N-(1-phenylbutan-2-yl)cyclohexanecarboxamide

C17H25NO — CID 2971987

IUPACN-(1-phenylbutan-2-yl)cyclohexanecarboxamide
SMILESCCC(Cc1ccccc1)NC(=O)C1CCCCC1
InChIInChI=1S/C17H25NO/c1-2-16(13-14-9-5-3-6-10-14)18-17(19)15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3,(H,18,19)
InChIKeyCJVSMQUQSJMRCR-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.70
Rot. Bonds5

About N-(1-phenylbutan-2-yl)cyclohexanecarboxamide

N-(1-phenylbutan-2-yl)cyclohexanecarboxamide (PubChem CID 2971987) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(1-phenylbutan-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-phenylbutan-2-yl)cyclohexanecarboxamide
PubChem CID2971987
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(1-phenylbutan-2-yl)cyclohexanecarboxamide
SMILESCCC(Cc1ccccc1)NC(=O)C1CCCCC1
InChIInChI=1S/C17H25NO/c1-2-16(13-14-9-5-3-6-10-14)18-17(19)15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3,(H,18,19)
InChIKeyCJVSMQUQSJMRCR-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylbutan-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-phenylbutan-2-yl)cyclohexanecarboxamide (CID 2971987) is N-(1-phenylbutan-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-phenylbutan-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-phenylbutan-2-yl)cyclohexanecarboxamide is CCC(Cc1ccccc1)NC(=O)C1CCCCC1.
What is the InChIKey of N-(1-phenylbutan-2-yl)cyclohexanecarboxamide?
The InChIKey is CJVSMQUQSJMRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-16(13-14-9-5-3-6-10-14)18-17(19)15-11-7-4-8-12-15/h3,5-6,9-10,15-16H,2,4,7-8,11-13H2,1H3,(H,18,19).
What are the key properties of N-(1-phenylbutan-2-yl)cyclohexanecarboxamide?
N-(1-phenylbutan-2-yl)cyclohexanecarboxamide has a molecular weight of 259.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylbutan-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 2971987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).