2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide

C18H26N2O — CID 60638654

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-14-8-10-17(11-9-14)20-18(21)15(2)19-13-12-16-6-4-3-5-7-16/h6,8-11,15,19H,3-5,7,12-13H2,1-2H3,(H,20,21)
InChIKeyRDTCHTLGEWMMBB-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.80
Rot. Bonds6

About 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide

2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide (PubChem CID 60638654) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
PubChem CID60638654
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H26N2O/c1-14-8-10-17(11-9-14)20-18(21)15(2)19-13-12-16-6-4-3-5-7-16/h6,8-11,15,19H,3-5,7,12-13H2,1-2H3,(H,20,21)
InChIKeyRDTCHTLGEWMMBB-UHFFFAOYSA-N
XLogP3.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.80
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

2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
CID 82100138
2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
CID 60719007
N-(4-methylphenyl)-2-(propylamino)propanamide
CID 60638636
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571067
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one
CID 82100261
2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43766353
2-[2-(cyclopenten-1-yl)ethylamino]-N-prop-2-ynylpropanamide
CID 103843115
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
[4-[1-[2-(cyclopenten-1-yl)ethylamino]ethyl]phenyl]urea
CID 103904492
2-[2-(cyclohexen-1-yl)ethylamino]-4-oxo-4-(4-propan-2-ylanilino)butanoic acid
CID 3355490
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanamide
CID 3637173
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide (CID 60638654) is 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)NCCC2=CCCCC2)cc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide?
The InChIKey is RDTCHTLGEWMMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-14-8-10-17(11-9-14)20-18(21)15(2)19-13-12-16-6-4-3-5-7-16/h6,8-11,15,19H,3-5,7,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide?
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide has a molecular weight of 286.42 g/mol, XLogP of 3.80, 6 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-(4-methylphenyl)propanamide is sourced from PubChem (CID 60638654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).