N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide

C17H23NO3 — CID 912382

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCC2=CCCCC2)c1OC
InChIInChI=1S/C17H23NO3/c1-20-15-10-6-9-14(16(15)21-2)17(19)18-12-11-13-7-4-3-5-8-13/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,19)
InChIKeyGTFMSEUCFUYZJL-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.32
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide

N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide (PubChem CID 912382) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide
PubChem CID912382
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCCC2=CCCCC2)c1OC
InChIInChI=1S/C17H23NO3/c1-20-15-10-6-9-14(16(15)21-2)17(19)18-12-11-13-7-4-3-5-8-13/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,19)
InChIKeyGTFMSEUCFUYZJL-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Alibendol
CID 71916
5-(3-Fluoropropyl)-2,3-dimethoxy-N-(((2S)-1-(2-propen-1-yl)-2-pyrrolidinyl)methyl)benzamide
CID 10021692
Epidepride
CID 86101
RO 116 1148
CID 44391713
2,3-Dimethoxy-N-(1-(4-fluorobenzyl)piperidin-4-yl)benzamide
CID 134002
2,3-Dimethoxy-N-(9-(4-fluorobenzyl)-9-azabicyclo(3.3.1)nonan-3-yl)benzamide
CID 23277137
2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
3,4-Dimethoxy-N-(phenylmethyl)benzeneacetamide
CID 2253267
N-(4-methoxyphenethyl)benzamide
CID 3083797
2-Methoxy-N-(3-methyl-2-phenyl-butyl)-benzamide
CID 44270882
2,3-dimethoxy-N-[(4-methylbenzyl)oxy]benzamide
CID 4776419

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide (CID 912382) is N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCCC2=CCCCC2)c1OC.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is GTFMSEUCFUYZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-15-10-6-9-14(16(15)21-2)17(19)18-12-11-13-7-4-3-5-8-13/h6-7,9-10H,3-5,8,11-12H2,1-2H3,(H,18,19).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide?
N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide has a molecular weight of 289.38 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 912382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).