3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide

C13H26N2O2 — CID 119722404

IUPAC3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
SMILESCCOCCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-2-17-9-4-3-8-15-13(16)11-6-5-7-12(14)10-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyALQKOFZRIDOHGT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds7

About 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide

3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide (PubChem CID 119722404) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
PubChem CID119722404
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide
SMILESCCOCCCCNC(=O)C1CCCC(N)C1
InChIInChI=1S/C13H26N2O2/c1-2-17-9-4-3-8-15-13(16)11-6-5-7-12(14)10-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyALQKOFZRIDOHGT-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
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

3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
3-amino-N-[3-(2-methoxyethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693905
3-amino-N-(4-aminobutyl)cyclohexane-1-carboxamide
CID 63046447
N-(3-acetamidopropyl)-3-aminocyclohexane-1-carboxamide
CID 119725928
3-amino-N-[4-(diethylamino)butyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119852537
methyl 4-[(3-aminocyclohexanecarbonyl)amino]butanoate;hydrochloride
CID 119684755
3-amino-N-[4-(4-ethylpiperazin-1-yl)butyl]cyclohexane-1-carboxamide
CID 119902026
7-[(3-aminocyclohexanecarbonyl)amino]heptanoic acid
CID 63047132
3-amino-N-[3-(dipropylamino)propyl]cyclohexane-1-carboxamide
CID 119861214
3-amino-N-(3-methylsulfanylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706929

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide (CID 119722404) is 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide is CCOCCCCNC(=O)C1CCCC(N)C1.
What is the InChIKey of 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide?
The InChIKey is ALQKOFZRIDOHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-2-17-9-4-3-8-15-13(16)11-6-5-7-12(14)10-11/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide?
3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-ethoxybutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 119722404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).