[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate

C19H27NO3 — CID 55372467

IUPAC[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C19H27NO3/c1-13-6-9-16(10-7-13)20(4)18(21)12-23-19(22)17-11-14(2)5-8-15(17)3/h5,8,11,13,16H,6-7,9-10,12H2,1-4H3
InChIKeyRTJACNNISFSMTH-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.50
Rot. Bonds4

About [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 55372467) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID55372467
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCc1ccc(C)c(C(=O)OCC(=O)N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C19H27NO3/c1-13-6-9-16(10-7-13)20(4)18(21)12-23-19(22)17-11-14(2)5-8-15(17)3/h5,8,11,13,16H,6-7,9-10,12H2,1-4H3
InChIKeyRTJACNNISFSMTH-UHFFFAOYSA-N
XLogP3.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 55489788
[2-(dimethylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 17422299
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55315017
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-sulfamoylbenzoate
CID 32571002
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(2,5-dimethylphenyl)sulfonylcyclopentane-1-carboxylate
CID 36753714
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 6-methoxy-2-methylquinoline-3-carboxylate
CID 37235929
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2434179
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2434178
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
CID 24518982
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8722080

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate (CID 55372467) is [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate is Cc1ccc(C)c(C(=O)OCC(=O)N(C)C2CCC(C)CC2)c1.
What is the InChIKey of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is RTJACNNISFSMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-13-6-9-16(10-7-13)20(4)18(21)12-23-19(22)17-11-14(2)5-8-15(17)3/h5,8,11,13,16H,6-7,9-10,12H2,1-4H3.
What are the key properties of [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate?
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 317.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 55372467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).