2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone

C18H27NO4 — CID 2452744

IUPAC2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CN(C)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H27NO4/c1-19(14-8-6-5-7-9-14)12-15(20)13-10-16(21-2)18(23-4)17(11-13)22-3/h10-11,14H,5-9,12H2,1-4H3
InChIKeyPWWVMRBRRCCYJE-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.16
Rot. Bonds7

About 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone

2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone (PubChem CID 2452744) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
PubChem CID2452744
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
SMILESCOc1cc(C(=O)CN(C)C2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H27NO4/c1-19(14-8-6-5-7-9-14)12-15(20)13-10-16(21-2)18(23-4)17(11-13)22-3/h10-11,14H,5-9,12H2,1-4H3
InChIKeyPWWVMRBRRCCYJE-UHFFFAOYSA-N
XLogP3.16
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505
2-[cyclopentyl(methyl)amino]-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43795234
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
2-[cyclopentyl(methyl)amino]-1-(4-methylphenyl)ethanone
CID 43795211
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 94718590
1-(3-bromo-4-methoxyphenyl)-2-[methyl-(4-methylcyclohexyl)amino]ethanone
CID 60681492
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899367
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499758
1-[cyclohexyl(methyl)amino]-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 3416277
3-cyclohexyl-1-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]urea
CID 113095856

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone (CID 2452744) is 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone is COc1cc(C(=O)CN(C)C2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone?
The InChIKey is PWWVMRBRRCCYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-19(14-8-6-5-7-9-14)12-15(20)13-10-16(21-2)18(23-4)17(11-13)22-3/h10-11,14H,5-9,12H2,1-4H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone?
2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone has a molecular weight of 321.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone is sourced from PubChem (CID 2452744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).