[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate

C18H25NO3 — CID 16522820

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H25NO3/c1-12-8-6-10-16(14(12)3)19-17(20)11-22-18(21)15-9-5-4-7-13(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,20)
InChIKeyMBQQWWVJKKIQQS-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.09
Rot. Bonds4

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate (PubChem CID 16522820) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate
PubChem CID16522820
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H25NO3/c1-12-8-6-10-16(14(12)3)19-17(20)11-22-18(21)15-9-5-4-7-13(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,20)
InChIKeyMBQQWWVJKKIQQS-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 6597138
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 2624406
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 3559512
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 23988447
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 55385419
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 11934268
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 11923707
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 3986821
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-benzamidobenzoate
CID 11907986
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 11926069
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate
CID 11917615
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 11907165

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate (CID 16522820) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate is Cc1ccccc1C(=O)OCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate?
The InChIKey is MBQQWWVJKKIQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-12-8-6-10-16(14(12)3)19-17(20)11-22-18(21)15-9-5-4-7-13(15)2/h4-5,7,9,12,14,16H,6,8,10-11H2,1-3H3,(H,19,20).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate has a molecular weight of 303.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate is sourced from PubChem (CID 16522820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).