N-(4-aminocyclohexyl)-6-phenylhexanamide

C18H28N2O — CID 154665741

IUPACN-(4-aminocyclohexyl)-6-phenylhexanamide
SMILESNC1CCC(NC(=O)CCCCCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c19-16-11-13-17(14-12-16)20-18(21)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14,19H2,(H,20,21)
InChIKeyZWNXATITZKLJRG-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.18
Rot. Bonds7

About N-(4-aminocyclohexyl)-6-phenylhexanamide

N-(4-aminocyclohexyl)-6-phenylhexanamide (PubChem CID 154665741) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-6-phenylhexanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-6-phenylhexanamide
PubChem CID154665741
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC NameN-(4-aminocyclohexyl)-6-phenylhexanamide
SMILESNC1CCC(NC(=O)CCCCCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c19-16-11-13-17(14-12-16)20-18(21)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14,19H2,(H,20,21)
InChIKeyZWNXATITZKLJRG-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.18
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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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-6-phenylhexanamide?
The IUPAC name of N-(4-aminocyclohexyl)-6-phenylhexanamide (CID 154665741) is N-(4-aminocyclohexyl)-6-phenylhexanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-6-phenylhexanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-6-phenylhexanamide is NC1CCC(NC(=O)CCCCCc2ccccc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-6-phenylhexanamide?
The InChIKey is ZWNXATITZKLJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c19-16-11-13-17(14-12-16)20-18(21)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,16-17H,2,5-6,9-14,19H2,(H,20,21).
What are the key properties of N-(4-aminocyclohexyl)-6-phenylhexanamide?
N-(4-aminocyclohexyl)-6-phenylhexanamide has a molecular weight of 288.43 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-6-phenylhexanamide is sourced from PubChem (CID 154665741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).