3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide

C19H28N2O — CID 109014890

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCNCCC1=CCCCC1
InChIInChI=1S/C19H28N2O/c1-15-7-6-8-16(2)19(15)21-18(22)12-14-20-13-11-17-9-4-3-5-10-17/h6-9,20H,3-5,10-14H2,1-2H3,(H,21,22)
InChIKeyJYBWABLSBLTQBR-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.11
Rot. Bonds7

About 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide

3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 109014890) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
PubChem CID109014890
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCNCCC1=CCCCC1
InChIInChI=1S/C19H28N2O/c1-15-7-6-8-16(2)19(15)21-18(22)12-14-20-13-11-17-9-4-3-5-10-17/h6-9,20H,3-5,10-14H2,1-2H3,(H,21,22)
InChIKeyJYBWABLSBLTQBR-UHFFFAOYSA-N
XLogP4.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.11
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

1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide
CID 109014919
N-(2-bromophenyl)-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014952
3-[2-(cyclohexen-1-yl)ethylamino]-N-[4-(diethylamino)-2-methylphenyl]propanamide
CID 109014975
N-(2,6-dimethylphenyl)-3-(propylamino)propanamide
CID 59981693
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-ethyl-6-methylanilino)acetamide
CID 54819191
3-N-[2-(cyclohexen-1-yl)ethyl]-5-N-(2,6-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109103351
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
3-[2-(cyclopenten-1-yl)ethylamino]propanoic acid
CID 106173967
3-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 109014834
N-(3-chloro-2-methylphenyl)-2-[2-(cyclohexen-1-yl)ethylamino]acetamide
CID 54815757

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide (CID 109014890) is 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)CCNCCC1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is JYBWABLSBLTQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-7-6-8-16(2)19(15)21-18(22)12-14-20-13-11-17-9-4-3-5-10-17/h6-9,20H,3-5,10-14H2,1-2H3,(H,21,22).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide?
3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 300.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 109014890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).