N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride

C11H23ClN2O2 — CID 119475217

IUPACN-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
SMILESCCOCCC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-2-15-8-7-11(14)13-10-5-3-9(12)4-6-10;/h9-10H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyQNJKTNPRWVCNKL-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.22
Rot. Bonds5

About N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride

N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride (PubChem CID 119475217) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
PubChem CID119475217
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC NameN-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride
SMILESCCOCCC(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-2-15-8-7-11(14)13-10-5-3-9(12)4-6-10;/h9-10H,2-8,12H2,1H3,(H,13,14);1H
InChIKeyQNJKTNPRWVCNKL-UHFFFAOYSA-N
XLogP1.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.22
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

cis-(1S,3R)-3-(3-ethoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 120675923
N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
CID 119475599
N-[(1R,2R)-2-aminocyclohexyl]-3-ethoxypropanamide
CID 103805745
N-(4-aminocyclohexyl)-2-pentoxyacetamide
CID 119474713
3-(2-amino-2-ethylbutoxy)-N-cyclopropylpropanamide
CID 64574012
N-[4-[(4-acetamidocyclohexyl)methyl]cyclohexyl]-4-ethoxybutanamide
CID 23405567
N-(4-aminocyclohexyl)-3-(methylamino)propanamide
CID 62319076
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
4-(3-ethoxypropanoylamino)-N-[2-(2-oxobutoxy)ethyl]cyclohexane-1-carboxamide
CID 169158474
ethyl 2-[(4-aminocyclohexyl)amino]-2-oxoacetate
CID 165449507
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;dihydrochloride
CID 86277381
ethane;4-[3-(2-ethoxyethoxy)propanoylamino]-N-(3-methyl-2-oxobutyl)cyclohexane-1-carboxamide
CID 177357306

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride (CID 119475217) is N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride is CCOCCC(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride?
The InChIKey is QNJKTNPRWVCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-2-15-8-7-11(14)13-10-5-3-9(12)4-6-10;/h9-10H,2-8,12H2,1H3,(H,13,14);1H.
What are the key properties of N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride?
N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-ethoxypropanamide;hydrochloride is sourced from PubChem (CID 119475217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).