[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate

C23H27NO3 — CID 7809504

IUPAC[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate
SMILESCC1CCC(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c1-17-11-13-20(14-12-17)24-22(25)16-27-23(26)21-10-6-5-9-19(21)15-18-7-3-2-4-8-18/h2-10,17,20H,11-16H2,1H3,(H,24,25)
InChIKeyXFWHRQSDGJMKAO-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.13
Rot. Bonds6

About [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate

[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate (PubChem CID 7809504) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate
PubChem CID7809504
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate
SMILESCC1CCC(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C23H27NO3/c1-17-11-13-20(14-12-17)24-22(25)16-27-23(26)21-10-6-5-9-19(21)15-18-7-3-2-4-8-18/h2-10,17,20H,11-16H2,1H3,(H,24,25)
InChIKeyXFWHRQSDGJMKAO-UHFFFAOYSA-N
XLogP4.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 16543862
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-(2-methylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2715820
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
[2-(cyclopropylamino)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725286
[2-(cyclopropylamino)-2-oxoethyl] 2-ethylsulfanylbenzoate
CID 8658293
[2-(4-butylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 7809575
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
[2-(4-methoxyanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334495
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoate
CID 7805105
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate (CID 7809504) is [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate is CC1CCC(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is XFWHRQSDGJMKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-17-11-13-20(14-12-17)24-22(25)16-27-23(26)21-10-6-5-9-19(21)15-18-7-3-2-4-8-18/h2-10,17,20H,11-16H2,1H3,(H,24,25).
What are the key properties of [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate?
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 365.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 7809504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).