N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C19H29NO4 — CID 51165959

IUPACN-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2CCCC(C)C2C)cc(OC)c1OC
InChIInChI=1S/C19H29NO4/c1-12-7-6-8-15(13(12)2)20-18(21)11-14-9-16(22-3)19(24-5)17(10-14)23-4/h9-10,12-13,15H,6-8,11H2,1-5H3,(H,20,21)
InChIKeyLEORNNYGAYEPBN-UHFFFAOYSA-N
MW335.44 g/mol
LogP3.20
Rot. Bonds6

About N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 51165959) has the molecular formula C19H29NO4 and a molecular weight of 335.44 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID51165959
Molecular FormulaC19H29NO4
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2CCCC(C)C2C)cc(OC)c1OC
InChIInChI=1S/C19H29NO4/c1-12-7-6-8-15(13(12)2)20-18(21)11-14-9-16(22-3)19(24-5)17(10-14)23-4/h9-10,12-13,15H,6-8,11H2,1-5H3,(H,20,21)
InChIKeyLEORNNYGAYEPBN-UHFFFAOYSA-N
XLogP3.20
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate
CID 3937719
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 11916045
3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 51723970
3-chloro-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4,5-dimethoxybenzamide
CID 7887810
N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78808028
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 11901457
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013759
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11932459
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]acetamide
CID 129377488
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 11935118
methyl 4-[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 11923909
2-(3,4-dichlorophenyl)-N-(2,3-dimethylcyclohexyl)acetamide
CID 18206629

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 51165959) is N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NC2CCCC(C)C2C)cc(OC)c1OC.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is LEORNNYGAYEPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4/c1-12-7-6-8-15(13(12)2)20-18(21)11-14-9-16(22-3)19(24-5)17(10-14)23-4/h9-10,12-13,15H,6-8,11H2,1-5H3,(H,20,21).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 335.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 51165959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).