N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide

C18H27NO4 — CID 9084467

IUPACN-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(OC)c1OC
InChIInChI=1S/C18H27NO4/c1-12-7-5-6-8-14(12)19-16(20)11-13-9-10-15(21-2)18(23-4)17(13)22-3/h9-10,12,14H,5-8,11H2,1-4H3,(H,19,20)/t12-,14+/m0/s1
InChIKeyLJHCPCQKERIPPW-GXTWGEPZSA-N
MW321.42 g/mol
LogP2.95
Rot. Bonds6

About N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide

N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide (PubChem CID 9084467) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
PubChem CID9084467
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(OC)c1OC
InChIInChI=1S/C18H27NO4/c1-12-7-5-6-8-14(12)19-16(20)11-13-9-10-15(21-2)18(23-4)17(13)22-3/h9-10,12,14H,5-8,11H2,1-4H3,(H,19,20)/t12-,14+/m0/s1
InChIKeyLJHCPCQKERIPPW-GXTWGEPZSA-N
XLogP2.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25494679
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
(2,3-dimethoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 8709137
[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 8611579
N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78808028
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
4-(4-methoxy-3-methylphenyl)-N-(2-methylcyclohexyl)butanamide
CID 3823033
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766228
N-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55249228
[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2,6-dimethoxybenzoate
CID 5149215
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 8872403

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide (CID 9084467) is N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C)c(OC)c1OC.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
The InChIKey is LJHCPCQKERIPPW-GXTWGEPZSA-N. The full InChI is InChI=1S/C18H27NO4/c1-12-7-5-6-8-14(12)19-16(20)11-13-9-10-15(21-2)18(23-4)17(13)22-3/h9-10,12,14H,5-8,11H2,1-4H3,(H,19,20)/t12-,14+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide?
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide has a molecular weight of 321.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide is sourced from PubChem (CID 9084467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).