4-(3-phenylpropylamino)cyclohexane-1-carboxamide

C16H24N2O — CID 43748734

IUPAC4-(3-phenylpropylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c17-16(19)14-8-10-15(11-9-14)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12H2,(H2,17,19)
InChIKeyPGDWUJNTGXHWGU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.25
Rot. Bonds6

About 4-(3-phenylpropylamino)cyclohexane-1-carboxamide

4-(3-phenylpropylamino)cyclohexane-1-carboxamide (PubChem CID 43748734) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(3-phenylpropylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3-phenylpropylamino)cyclohexane-1-carboxamide
PubChem CID43748734
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-(3-phenylpropylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCCCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O/c17-16(19)14-8-10-15(11-9-14)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12H2,(H2,17,19)
InChIKeyPGDWUJNTGXHWGU-UHFFFAOYSA-N
XLogP2.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.25
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-(4-phenylbutylamino)cyclohexane-1-carboxamide
CID 114333233
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
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
4-[3-[3-(trifluoromethyl)phenyl]propylamino]cyclohexane-1-carboxylic acid
CID 122030753
N-[3-(cyclopropylamino)propyl]-2-phenylacetamide
CID 43596486
2,2-diphenyl-2-[3-(4-phenylbutylamino)cyclopentyl]acetamide
CID 70304083
4-(2-phenylpropylamino)cyclohexane-1-carboxamide
CID 43748733
N-(4-phenylbutyl)thian-4-amine
CID 115575565
N-(4-phenylbutyl)oxan-4-amine
CID 115651772
2-(3-phenylpropylamino)cyclohexan-1-ol
CID 45358268

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(3-phenylpropylamino)cyclohexane-1-carboxamide (CID 43748734) is 4-(3-phenylpropylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3-phenylpropylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3-phenylpropylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(NCCCc2ccccc2)CC1.
What is the InChIKey of 4-(3-phenylpropylamino)cyclohexane-1-carboxamide?
The InChIKey is PGDWUJNTGXHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-16(19)14-8-10-15(11-9-14)18-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-15,18H,4,7-12H2,(H2,17,19).
What are the key properties of 4-(3-phenylpropylamino)cyclohexane-1-carboxamide?
4-(3-phenylpropylamino)cyclohexane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 43748734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).