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

C18H26N2O2 — CID 109014919

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNCCC2=CCCCC2)c1
InChIInChI=1S/C18H26N2O2/c1-22-17-9-5-8-16(14-17)20-18(21)11-13-19-12-10-15-6-3-2-4-7-15/h5-6,8-9,14,19H,2-4,7,10-13H2,1H3,(H,20,21)
InChIKeyUCOVSMRFQIUKCN-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.50
Rot. Bonds8

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

3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide (PubChem CID 109014919) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide
PubChem CID109014919
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCNCCC2=CCCCC2)c1
InChIInChI=1S/C18H26N2O2/c1-22-17-9-5-8-16(14-17)20-18(21)11-13-19-12-10-15-6-3-2-4-7-15/h5-6,8-9,14,19H,2-4,7,10-13H2,1H3,(H,20,21)
InChIKeyUCOVSMRFQIUKCN-UHFFFAOYSA-N
XLogP3.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-methoxyphenyl)thiourea
CID 2140693
3-[2-(cyclohexen-1-yl)ethylamino]-N-(2,6-dimethylphenyl)propanamide
CID 109014890
N-(3-methoxyphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015598
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-methoxyphenyl)-4-oxobutanamide
CID 110407479
N-[3-[[2-[2-(cyclohexen-1-yl)ethylamino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54815622
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16898845
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 38007399
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 43916356
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)propanediamide
CID 108942996
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54815445
N-benzyl-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 109014814

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide (CID 109014919) is 3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCNCCC2=CCCCC2)c1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide?
The InChIKey is UCOVSMRFQIUKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-17-9-5-8-16(14-17)20-18(21)11-13-19-12-10-15-6-3-2-4-7-15/h5-6,8-9,14,19H,2-4,7,10-13H2,1H3,(H,20,21).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide?
3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 109014919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).