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

C14H26N2O — CID 19433324

IUPACN-(3-cyclobutylpropyl)azepane-1-carboxamide
SMILESO=C(NCCCC1CCC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O/c17-14(16-11-3-1-2-4-12-16)15-10-6-9-13-7-5-8-13/h13H,1-12H2,(H,15,17)
InChIKeyZTCAJUNOYSAEGJ-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.15
Rot. Bonds4

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

N-(3-cyclobutylpropyl)azepane-1-carboxamide (PubChem CID 19433324) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(3-cyclobutylpropyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyclobutylpropyl)azepane-1-carboxamide
PubChem CID19433324
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(3-cyclobutylpropyl)azepane-1-carboxamide
SMILESO=C(NCCCC1CCC1)N1CCCCCC1
InChIInChI=1S/C14H26N2O/c17-14(16-11-3-1-2-4-12-16)15-10-6-9-13-7-5-8-13/h13H,1-12H2,(H,15,17)
InChIKeyZTCAJUNOYSAEGJ-UHFFFAOYSA-N
XLogP3.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.15
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-cyclobutylpropyl)azepane-1-carboxamide?
The IUPAC name of N-(3-cyclobutylpropyl)azepane-1-carboxamide (CID 19433324) is N-(3-cyclobutylpropyl)azepane-1-carboxamide.
What is the SMILES notation for N-(3-cyclobutylpropyl)azepane-1-carboxamide?
The canonical SMILES for N-(3-cyclobutylpropyl)azepane-1-carboxamide is O=C(NCCCC1CCC1)N1CCCCCC1.
What is the InChIKey of N-(3-cyclobutylpropyl)azepane-1-carboxamide?
The InChIKey is ZTCAJUNOYSAEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c17-14(16-11-3-1-2-4-12-16)15-10-6-9-13-7-5-8-13/h13H,1-12H2,(H,15,17).
What are the key properties of N-(3-cyclobutylpropyl)azepane-1-carboxamide?
N-(3-cyclobutylpropyl)azepane-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutylpropyl)azepane-1-carboxamide is sourced from PubChem (CID 19433324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).