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

C14H25N3O2 — CID 71940931

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCCCCC1)C1CC1
InChIInChI=1S/C14H25N3O2/c18-13(12-6-7-12)15-8-9-16-14(19)17-10-4-2-1-3-5-11-17/h12H,1-11H2,(H,15,18)(H,16,19)
InChIKeyGMPBTJCKAOZCQC-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.49
Rot. Bonds4

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

N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide (PubChem CID 71940931) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
PubChem CID71940931
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCCCCC1)C1CC1
InChIInChI=1S/C14H25N3O2/c18-13(12-6-7-12)15-8-9-16-14(19)17-10-4-2-1-3-5-11-17/h12H,1-11H2,(H,15,18)(H,16,19)
InChIKeyGMPBTJCKAOZCQC-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.49
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]azepane-1-carboxamide
CID 113223981
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]azocane-1-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide (CID 71940931) is N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide is O=C(NCCNC(=O)N1CCCCCCC1)C1CC1.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide?
The InChIKey is GMPBTJCKAOZCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-13(12-6-7-12)15-8-9-16-14(19)17-10-4-2-1-3-5-11-17/h12H,1-11H2,(H,15,18)(H,16,19).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]azocane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.49, 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]azocane-1-carboxamide is sourced from PubChem (CID 71940931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).