3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide

C17H30N2O — CID 50983715

IUPAC3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide
SMILESCC(NCCC(=O)NC1CCCCC1)C1=CCCCC1
InChIInChI=1S/C17H30N2O/c1-14(15-8-4-2-5-9-15)18-13-12-17(20)19-16-10-6-3-7-11-16/h8,14,16,18H,2-7,9-13H2,1H3,(H,19,20)
InChIKeyOSJRTVBBAJNDFA-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.30
Rot. Bonds6

About 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide

3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide (PubChem CID 50983715) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide
PubChem CID50983715
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide
SMILESCC(NCCC(=O)NC1CCCCC1)C1=CCCCC1
InChIInChI=1S/C17H30N2O/c1-14(15-8-4-2-5-9-15)18-13-12-17(20)19-16-10-6-3-7-11-16/h8,14,16,18H,2-7,9-13H2,1H3,(H,19,20)
InChIKeyOSJRTVBBAJNDFA-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopropylpropanamide
CID 81358990
N-cyclopropyl-3-[1-(2-hydroxyphenyl)ethylamino]propanamide
CID 79394248
3-[1-(cyclohexen-1-yl)ethylcarbamoylamino]propanoic acid
CID 131916982
N-cyclohexyl-3-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]propanamide
CID 60552327
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
N-cyclohexyl-3-(2-propan-2-ylanilino)propanamide
CID 109014020
N-cycloheptyl-3-(2-propan-2-ylanilino)propanamide
CID 109031466
N-cyclododecyl-N'-(1-phenylethyl)butanediamide
CID 4025526
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165

Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide (CID 50983715) is 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide is CC(NCCC(=O)NC1CCCCC1)C1=CCCCC1.
What is the InChIKey of 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide?
The InChIKey is OSJRTVBBAJNDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14(15-8-4-2-5-9-15)18-13-12-17(20)19-16-10-6-3-7-11-16/h8,14,16,18H,2-7,9-13H2,1H3,(H,19,20).
What are the key properties of 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide?
3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide has a molecular weight of 278.44 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexen-1-yl)ethylamino]-N-cyclohexylpropanamide is sourced from PubChem (CID 50983715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).