4-(4-phenylbutylamino)cyclohexane-1-carboxamide

C17H26N2O — CID 114333233

IUPAC4-(4-phenylbutylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCCCCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c18-17(20)15-9-11-16(12-10-15)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H2,18,20)
InChIKeyYKKYJFSYQWZLNB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.64
Rot. Bonds7

About 4-(4-phenylbutylamino)cyclohexane-1-carboxamide

4-(4-phenylbutylamino)cyclohexane-1-carboxamide (PubChem CID 114333233) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(4-phenylbutylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-phenylbutylamino)cyclohexane-1-carboxamide
PubChem CID114333233
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(4-phenylbutylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCCCCc2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c18-17(20)15-9-11-16(12-10-15)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H2,18,20)
InChIKeyYKKYJFSYQWZLNB-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748734
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide
CID 70304083
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823
N-(4-phenylbutyl)thian-4-amine
CID 115575565
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
4-(3-phenylpropylamino)cyclohexan-1-one
CID 15290860
1-(4-phenylbutyl)-N-(3-phenylpropyl)piperidin-4-amine
CID 24786198
2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclohexyl]acetamide
CID 70303123
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide
CID 43596486

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbutylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-phenylbutylamino)cyclohexane-1-carboxamide (CID 114333233) is 4-(4-phenylbutylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-phenylbutylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-phenylbutylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(NCCCCc2ccccc2)CC1.
What is the InChIKey of 4-(4-phenylbutylamino)cyclohexane-1-carboxamide?
The InChIKey is YKKYJFSYQWZLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-17(20)15-9-11-16(12-10-15)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,15-16,19H,4-5,8-13H2,(H2,18,20).
What are the key properties of 4-(4-phenylbutylamino)cyclohexane-1-carboxamide?
4-(4-phenylbutylamino)cyclohexane-1-carboxamide has a molecular weight of 274.41 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbutylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 114333233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).