N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide

C18H25NO2 — CID 100542510

IUPACN-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2=CCCCC2)cc1C
InChIInChI=1S/C18H25NO2/c1-14-12-15(8-10-17(14)21-2)9-11-18(20)19-13-16-6-4-3-5-7-16/h6,8,10,12H,3-5,7,9,11,13H2,1-2H3,(H,19,20)
InChIKeyJRKIPHXFZUREOZ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.55
Rot. Bonds6

About N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide

N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide (PubChem CID 100542510) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide
PubChem CID100542510
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC2=CCCCC2)cc1C
InChIInChI=1S/C18H25NO2/c1-14-12-15(8-10-17(14)21-2)9-11-18(20)19-13-16-6-4-3-5-7-16/h6,8,10,12H,3-5,7,9,11,13H2,1-2H3,(H,19,20)
InChIKeyJRKIPHXFZUREOZ-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100642767
3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
CID 110835538
N-(cyclohexen-1-ylmethyl)-3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 100542671
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422
3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 100526543
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
N-(cyclohexen-1-ylmethyl)-4-ethoxy-3-methylbenzamide
CID 100542456
N-[2-(cyclohexen-1-yl)ethyl]-2-[(3,4-dimethoxyphenyl)methylamino]acetamide
CID 108993937
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 27666325
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 33109851
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 3881246

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide (CID 100542510) is N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide is COc1ccc(CCC(=O)NCC2=CCCCC2)cc1C.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide?
The InChIKey is JRKIPHXFZUREOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-12-15(8-10-17(14)21-2)9-11-18(20)19-13-16-6-4-3-5-7-16/h6,8,10,12H,3-5,7,9,11,13H2,1-2H3,(H,19,20).
What are the key properties of N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide?
N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide has a molecular weight of 287.40 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide is sourced from PubChem (CID 100542510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).