4-butyl-N-phenylcyclohexane-1-carboxamide

C17H25NO — CID 2219569

IUPAC4-butyl-N-phenylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-2-3-7-14-10-12-15(13-11-14)17(19)18-16-8-5-4-6-9-16/h4-6,8-9,14-15H,2-3,7,10-13H2,1H3,(H,18,19)
InChIKeyBFTHDQJBOPXMFA-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.62
Rot. Bonds5

About 4-butyl-N-phenylcyclohexane-1-carboxamide

4-butyl-N-phenylcyclohexane-1-carboxamide (PubChem CID 2219569) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-butyl-N-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-phenylcyclohexane-1-carboxamide
PubChem CID2219569
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-butyl-N-phenylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H25NO/c1-2-3-7-14-10-12-15(13-11-14)17(19)18-16-8-5-4-6-9-16/h4-6,8-9,14-15H,2-3,7,10-13H2,1H3,(H,18,19)
InChIKeyBFTHDQJBOPXMFA-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-phenylcyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-phenylcyclohexane-1-carboxamide (CID 2219569) is 4-butyl-N-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-phenylcyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-phenylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-butyl-N-phenylcyclohexane-1-carboxamide?
The InChIKey is BFTHDQJBOPXMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-2-3-7-14-10-12-15(13-11-14)17(19)18-16-8-5-4-6-9-16/h4-6,8-9,14-15H,2-3,7,10-13H2,1H3,(H,18,19).
What are the key properties of 4-butyl-N-phenylcyclohexane-1-carboxamide?
4-butyl-N-phenylcyclohexane-1-carboxamide has a molecular weight of 259.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 2219569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).