3-(2-cyclohexylethylamino)-N-ethylpropanamide

C13H26N2O — CID 62324401

IUPAC3-(2-cyclohexylethylamino)-N-ethylpropanamide
SMILESCCNC(=O)CCNCCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-2-15-13(16)9-11-14-10-8-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyWWUGPVJLUHVEDZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.07
Rot. Bonds7

About 3-(2-cyclohexylethylamino)-N-ethylpropanamide

3-(2-cyclohexylethylamino)-N-ethylpropanamide (PubChem CID 62324401) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(2-cyclohexylethylamino)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-cyclohexylethylamino)-N-ethylpropanamide
PubChem CID62324401
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(2-cyclohexylethylamino)-N-ethylpropanamide
SMILESCCNC(=O)CCNCCC1CCCCC1
InChIInChI=1S/C13H26N2O/c1-2-15-13(16)9-11-14-10-8-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyWWUGPVJLUHVEDZ-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropylmethylamino)-N-ethylpropanamide
CID 62324185
ethyl 3-(2-cyclohexylethylamino)propanoate
CID 60920953
3-cyclopentyl-N-[2-(propylamino)ethyl]propanamide
CID 62658625
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
3-(2-cyclopentylethylamino)-N-pentadecylpropanamide;3-[2-cyclopentylethyl-[3-oxo-3-(pentadecylamino)propyl]amino]-N-pentadecylpropanamide;methane
CID 159094692
N-ethyl-3-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 106133439
4-cyclopentyl-N-[2-(ethylamino)ethyl]butanamide;hydrochloride
CID 119509622
N-butyl-2-(2-cyclohexylethylamino)acetamide
CID 60976119
4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
3-[2-(2-cyclohexylethylamino)ethyl]-1,1-dimethylurea
CID 83116550
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
N-ethyl-3-[(3-hydroxycyclobutyl)methylamino]propanamide
CID 66005260

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethylamino)-N-ethylpropanamide?
The IUPAC name of 3-(2-cyclohexylethylamino)-N-ethylpropanamide (CID 62324401) is 3-(2-cyclohexylethylamino)-N-ethylpropanamide.
What is the SMILES notation for 3-(2-cyclohexylethylamino)-N-ethylpropanamide?
The canonical SMILES for 3-(2-cyclohexylethylamino)-N-ethylpropanamide is CCNC(=O)CCNCCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethylamino)-N-ethylpropanamide?
The InChIKey is WWUGPVJLUHVEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-2-15-13(16)9-11-14-10-8-12-6-4-3-5-7-12/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of 3-(2-cyclohexylethylamino)-N-ethylpropanamide?
3-(2-cyclohexylethylamino)-N-ethylpropanamide has a molecular weight of 226.36 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethylamino)-N-ethylpropanamide is sourced from PubChem (CID 62324401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).