2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone

C17H25NO2 — CID 61446447

IUPAC2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)CC2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-18(12-14-6-4-3-5-7-14)13-17(19)15-8-10-16(20-2)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyAVHOGIOGJRUEQU-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.39
Rot. Bonds6

About 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone

2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone (PubChem CID 61446447) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
PubChem CID61446447
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)CC2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-18(12-14-6-4-3-5-7-14)13-17(19)15-8-10-16(20-2)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3
InChIKeyAVHOGIOGJRUEQU-UHFFFAOYSA-N
XLogP3.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-[methyl(oxan-3-ylmethyl)amino]ethanone
CID 63712788
2-[cyclopentylmethyl(methyl)amino]-1-(4-methylsulfanylphenyl)ethanone
CID 63631436
1-(3-bromo-4-methoxyphenyl)-2-[cyclopentylmethyl(methyl)amino]ethanone
CID 63630548
2-[cyclopropyl(cyclopropylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 64522569
2-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2-dimethylpropanamide
CID 78324505
cyclohexyl-[2-(4-methoxyphenyl)-2-oxoethyl]carbamic acid
CID 175054365
2-[cyclopentylmethyl(methyl)amino]-1-(3,4-dihydroxyphenyl)ethanone
CID 63632491
1-(3-chloro-4-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860808
2-[cyclopropylmethyl(methyl)amino]-1-(4-fluorophenyl)ethanone
CID 60984494
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534
2-[cyclopentylmethyl(methyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 55248864
2-[2-hydroxypropyl(methyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62332829

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone (CID 61446447) is 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN(C)CC2CCCCC2)cc1.
What is the InChIKey of 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone?
The InChIKey is AVHOGIOGJRUEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-18(12-14-6-4-3-5-7-14)13-17(19)15-8-10-16(20-2)11-9-15/h8-11,14H,3-7,12-13H2,1-2H3.
What are the key properties of 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone?
2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone has a molecular weight of 275.39 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 61446447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).