N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride

C15H31ClN2O2 — CID 119619598

IUPACN-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
SMILESCCOCCCC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-2-19-13-7-10-15(18)17-12-11-16-14-8-5-3-4-6-9-14;/h14,16H,2-13H2,1H3,(H,17,18);1H
InChIKeyLVIMROLXQDWZHF-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.65
Rot. Bonds9

About N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride (PubChem CID 119619598) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
PubChem CID119619598
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC NameN-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
SMILESCCOCCCC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-2-19-13-7-10-15(18)17-12-11-16-14-8-5-3-4-6-9-14;/h14,16H,2-13H2,1H3,(H,17,18);1H
InChIKeyLVIMROLXQDWZHF-UHFFFAOYSA-N
XLogP2.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
CID 119619329
N-[2-(cycloheptylamino)ethyl]-5-methylsulfanylpentanamide;hydrochloride
CID 119619696
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride
CID 119620567
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939
N-[2-[cyclohexyl(methyl)amino]ethyl]-4-ethoxybutanamide
CID 86848639
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
3-(cycloheptylamino)-N-(3-methoxypropyl)propanamide
CID 109015383
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
N-[2-(cycloheptylamino)ethyl]-4,4,4-trifluorobutanamide;hydrochloride
CID 119621375
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)benzamide;hydrochloride
CID 119620824

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride (CID 119619598) is N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride is CCOCCCC(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride?
The InChIKey is LVIMROLXQDWZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-2-19-13-7-10-15(18)17-12-11-16-14-8-5-3-4-6-9-14;/h14,16H,2-13H2,1H3,(H,17,18);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride is sourced from PubChem (CID 119619598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).