N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide

C18H26N2O — CID 109014814

IUPACN-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
SMILESO=C(CCNCCC1=CCCCC1)NCc1ccccc1
InChIInChI=1S/C18H26N2O/c21-18(20-15-17-9-5-2-6-10-17)12-14-19-13-11-16-7-3-1-4-8-16/h2,5-7,9-10,19H,1,3-4,8,11-15H2,(H,20,21)
InChIKeyDVGBXRGXOHETBA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.17
Rot. Bonds8

About N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide

N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide (PubChem CID 109014814) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
PubChem CID109014814
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
SMILESO=C(CCNCCC1=CCCCC1)NCc1ccccc1
InChIInChI=1S/C18H26N2O/c21-18(20-15-17-9-5-2-6-10-17)12-14-19-13-11-16-7-3-1-4-8-16/h2,5-7,9-10,19H,1,3-4,8,11-15H2,(H,20,21)
InChIKeyDVGBXRGXOHETBA-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883
N-[2-(cyclohexen-1-yl)ethyl]-3-(3-phenylpropylamino)propanamide
CID 109014685
N-benzyl-2-(cyclohexen-1-yl)ethanamine;hydrochloride
CID 11948838
3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109014834
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108993808
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014952
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
CID 109014890

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The IUPAC name of N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide (CID 109014814) is N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide.
What is the SMILES notation for N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The canonical SMILES for N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide is O=C(CCNCCC1=CCCCC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
The InChIKey is DVGBXRGXOHETBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(20-15-17-9-5-2-6-10-17)12-14-19-13-11-16-7-3-1-4-8-16/h2,5-7,9-10,19H,1,3-4,8,11-15H2,(H,20,21).
What are the key properties of N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide?
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide has a molecular weight of 286.42 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide is sourced from PubChem (CID 109014814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).