N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride

C15H31ClN2O2 — CID 119589204

IUPACN-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-2-3-7-10-19-12-15(18)17-14(11-16)13-8-5-4-6-9-13;/h13-14H,2-12,16H2,1H3,(H,17,18);1H
InChIKeyJKCMOFVWFYFHDU-UHFFFAOYSA-N
MW306.88 g/mol
LogP2.64
Rot. Bonds9

About N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride (PubChem CID 119589204) has the molecular formula C15H31ClN2O2 and a molecular weight of 306.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride
PubChem CID119589204
Molecular FormulaC15H31ClN2O2
Molecular Weight306.88 g/mol
Exact Mass306.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride
SMILESCCCCCOCC(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C15H30N2O2.ClH/c1-2-3-7-10-19-12-15(18)17-14(11-16)13-8-5-4-6-9-13;/h13-14H,2-12,16H2,1H3,(H,17,18);1H
InChIKeyJKCMOFVWFYFHDU-UHFFFAOYSA-N
XLogP2.64
TPSA64.35 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 ≤ 52.64
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-amino-1-cyclopropylethyl)-2-pentoxyacetamide
CID 119613092
N-(2-amino-1-cyclohexylethyl)pentanamide;hydrochloride
CID 119589343
N-(2-amino-1-cyclohexylethyl)-3-butylsulfanylpropanamide
CID 119592153
N-[(2S)-1-aminopropan-2-yl]-2-pentoxyacetamide
CID 120506511
N-(2-amino-1-cyclohexylethyl)-2-(4-ethoxyphenoxy)acetamide
CID 119590687
N-(2-amino-1-cyclohexylethyl)-4-methylcyclohexane-1-carboxamide
CID 81485419
2-acetamido-N-(2-amino-1-cyclohexylethyl)acetamide;hydrochloride
CID 119590269
ethyl N-(2-amino-1-cyclooctylethyl)carbamate
CID 114207874
N-[4-[(2-amino-1-cyclohexylethyl)amino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119589615
N-(2-amino-1-cyclohexylethyl)-2-ethylhexanamide
CID 81486044
N-[2-(cycloheptylamino)ethyl]-2-pentoxyacetamide;hydrochloride
CID 119619329
N-(2-amino-1-cyclohexylethyl)-4-(methylamino)butanamide
CID 122080634

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride (CID 119589204) is N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride is CCCCCOCC(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride?
The InChIKey is JKCMOFVWFYFHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.ClH/c1-2-3-7-10-19-12-15(18)17-14(11-16)13-8-5-4-6-9-13;/h13-14H,2-12,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride has a molecular weight of 306.88 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-pentoxyacetamide;hydrochloride is sourced from PubChem (CID 119589204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).