N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride

C16H33ClN2O2 — CID 119619329

IUPACN-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-2-3-8-13-20-14-16(19)18-12-11-17-15-9-6-4-5-7-10-15;/h15,17H,2-14H2,1H3,(H,18,19);1H
InChIKeyUJLHNILPOIHAGB-UHFFFAOYSA-N
MW320.91 g/mol
LogP3.04
Rot. Bonds10

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

N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride (PubChem CID 119619329) has the molecular formula C16H33ClN2O2 and a molecular weight of 320.91 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
PubChem CID119619329
Molecular FormulaC16H33ClN2O2
Molecular Weight320.91 g/mol
Exact Mass320.22
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)NCCNC1CCCCCC1.Cl
InChIInChI=1S/C16H32N2O2.ClH/c1-2-3-8-13-20-14-16(19)18-12-11-17-15-9-6-4-5-7-10-15;/h15,17H,2-14H2,1H3,(H,18,19);1H
InChIKeyUJLHNILPOIHAGB-UHFFFAOYSA-N
XLogP3.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.91
LogP ≤ 53.04
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-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939
N-[2-(cycloheptylamino)ethyl]-4-ethoxybutanamide;hydrochloride
CID 119619598
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-(3-butoxypropyl)-2-(cyclopentylamino)acetamide
CID 113219331
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride
CID 119589204
N-[2-(cycloheptylamino)ethyl]-2-(2-ethoxyethoxy)propanamide;hydrochloride
CID 119620567
N-(2-hydroxyethyl)-2-(2-tridecoxyethoxy)acetamide
CID 100965697
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
N-(3-cyclohexyloxypropyl)-2-ethoxyacetamide
CID 60668714
N-[2-(cyclononylamino)ethyl]acetamide
CID 154969023

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride (CID 119619329) is N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride is CCCCCOCC(=O)NCCNC1CCCCCC1.Cl.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride?
The InChIKey is UJLHNILPOIHAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.ClH/c1-2-3-8-13-20-14-16(19)18-12-11-17-15-9-6-4-5-7-10-15;/h15,17H,2-14H2,1H3,(H,18,19);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride has a molecular weight of 320.91 g/mol, XLogP of 3.04, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride is sourced from PubChem (CID 119619329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).