2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide

C19H28N2O — CID 54815769

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-2-18(17-11-7-4-8-12-17)21-19(22)15-20-14-13-16-9-5-3-6-10-16/h4,7-9,11-12,18,20H,2-3,5-6,10,13-15H2,1H3,(H,21,22)
InChIKeyZIQGMVMADBNUBI-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.73
Rot. Bonds8

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide (PubChem CID 54815769) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide
PubChem CID54815769
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide
SMILESCCC(NC(=O)CNCCC1=CCCCC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c1-2-18(17-11-7-4-8-12-17)21-19(22)15-20-14-13-16-9-5-3-6-10-16/h4,7-9,11-12,18,20H,2-3,5-6,10,13-15H2,1H3,(H,21,22)
InChIKeyZIQGMVMADBNUBI-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.73
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-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
2-[2-(cyclopenten-1-yl)ethylamino]-N-pentan-2-ylacetamide
CID 114153921
N-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,2-diphenylacetamide
CID 112991069
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
N-[2-(cyclohexen-1-yl)ethyl]-1-phenylpentan-1-amine
CID 43766361
2-[2-(cyclohexen-1-yl)ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 108993813
2-[2-(cyclohexen-1-yl)ethylamino]-2-phenylacetamide
CID 42931151
(1S)-N-[2-(cyclohexen-1-yl)ethyl]-1-phenylethanamine
CID 29052043
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54815622
2-(cyclohexylamino)-N-(1-phenylpropyl)acetamide
CID 54816670
2-[2-(cyclohexen-1-yl)ethylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108993857

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide (CID 54815769) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide is CCC(NC(=O)CNCCC1=CCCCC1)c1ccccc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide?
The InChIKey is ZIQGMVMADBNUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-2-18(17-11-7-4-8-12-17)21-19(22)15-20-14-13-16-9-5-3-6-10-16/h4,7-9,11-12,18,20H,2-3,5-6,10,13-15H2,1H3,(H,21,22).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide has a molecular weight of 300.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(1-phenylpropyl)acetamide is sourced from PubChem (CID 54815769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).