N-(3-cyclohexylpropyl)azepane-1-carboxamide

C16H30N2O — CID 19433315

IUPACN-(3-cyclohexylpropyl)azepane-1-carboxamide
SMILESO=C(NCCCC1CCCCC1)N1CCCCCC1
InChIInChI=1S/C16H30N2O/c19-16(18-13-6-1-2-7-14-18)17-12-8-11-15-9-4-3-5-10-15/h15H,1-14H2,(H,17,19)
InChIKeyDDUFIUKYINKVBZ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.93
Rot. Bonds4

About N-(3-cyclohexylpropyl)azepane-1-carboxamide

N-(3-cyclohexylpropyl)azepane-1-carboxamide (PubChem CID 19433315) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(3-cyclohexylpropyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclohexylpropyl)azepane-1-carboxamide
PubChem CID19433315
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(3-cyclohexylpropyl)azepane-1-carboxamide
SMILESO=C(NCCCC1CCCCC1)N1CCCCCC1
InChIInChI=1S/C16H30N2O/c19-16(18-13-6-1-2-7-14-18)17-12-8-11-15-9-4-3-5-10-15/h15H,1-14H2,(H,17,19)
InChIKeyDDUFIUKYINKVBZ-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(3-cyclohexylpropyl)azepane-1-carboxamide?
The IUPAC name of N-(3-cyclohexylpropyl)azepane-1-carboxamide (CID 19433315) is N-(3-cyclohexylpropyl)azepane-1-carboxamide.
What is the SMILES notation for N-(3-cyclohexylpropyl)azepane-1-carboxamide?
The canonical SMILES for N-(3-cyclohexylpropyl)azepane-1-carboxamide is O=C(NCCCC1CCCCC1)N1CCCCCC1.
What is the InChIKey of N-(3-cyclohexylpropyl)azepane-1-carboxamide?
The InChIKey is DDUFIUKYINKVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c19-16(18-13-6-1-2-7-14-18)17-12-8-11-15-9-4-3-5-10-15/h15H,1-14H2,(H,17,19).
What are the key properties of N-(3-cyclohexylpropyl)azepane-1-carboxamide?
N-(3-cyclohexylpropyl)azepane-1-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexylpropyl)azepane-1-carboxamide is sourced from PubChem (CID 19433315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).