N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide

C13H23N3O2 — CID 113223981

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCCCC1)C1CC1
InChIInChI=1S/C13H23N3O2/c17-12(11-5-6-11)14-7-8-15-13(18)16-9-3-1-2-4-10-16/h11H,1-10H2,(H,14,17)(H,15,18)
InChIKeyZYBNXVGJZXJJAH-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.10
Rot. Bonds4

About N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide (PubChem CID 113223981) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
PubChem CID113223981
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCCCC1)C1CC1
InChIInChI=1S/C13H23N3O2/c17-12(11-5-6-11)14-7-8-15-13(18)16-9-3-1-2-4-10-16/h11H,1-10H2,(H,14,17)(H,15,18)
InChIKeyZYBNXVGJZXJJAH-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.10
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

N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
CID 71940931
1-N-[2-(cyclopropanecarbonylamino)ethyl]piperidine-1,4-dicarboxamide
CID 47127704
N-[2-(cycloheptylamino)ethyl]azepane-1-carboxamide
CID 115306511
N-(2-acetamidoethyl)piperidine-1-carboxamide
CID 115575266
N-(cyclopropanecarbonyl)azepane-1-carboxamide
CID 110866290
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
(3aR,7aR)-N-[2-(cyclohexanecarbonylamino)ethyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 95930381
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
N-[3-(cyclopropylamino)propyl]azepane-1-carboxamide
CID 79152117
N-[(piperidine-1-carbonylamino)methyl]piperidine-1-carboxamide
CID 59031008
N-(3-hydroxypropyl)piperidine-1-carboxamide
CID 112725647
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide (CID 113223981) is N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide is O=C(NCCNC(=O)N1CCCCCC1)C1CC1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide?
The InChIKey is ZYBNXVGJZXJJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-12(11-5-6-11)14-7-8-15-13(18)16-9-3-1-2-4-10-16/h11H,1-10H2,(H,14,17)(H,15,18).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]azepane-1-carboxamide is sourced from PubChem (CID 113223981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).