[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

C23H25NO4 — CID 2435041

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H25NO4/c1-16-11-13-17(14-12-16)22(26)19-9-5-6-10-20(19)23(27)28-15-21(25)24-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,24,25)
InChIKeyILOFWVOEFKRVDX-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.83
Rot. Bonds6

About [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate

[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (PubChem CID 2435041) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
PubChem CID2435041
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H25NO4/c1-16-11-13-17(14-12-16)22(26)19-9-5-6-10-20(19)23(27)28-15-21(25)24-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,24,25)
InChIKeyILOFWVOEFKRVDX-UHFFFAOYSA-N
XLogP3.83
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorobenzoyl)benzoate
CID 2630625
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 23988447
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)benzoate
CID 2626623
[2-(cyclopentylamino)-2-oxoethyl] 2-(methylamino)benzoate
CID 7671223
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-benzoylbenzoate
CID 7470473
[2-(cyclopropylamino)-2-oxoethyl] 2-methoxybenzoate
CID 2715031
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768674
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate (CID 2435041) is [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
The InChIKey is ILOFWVOEFKRVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-16-11-13-17(14-12-16)22(26)19-9-5-6-10-20(19)23(27)28-15-21(25)24-18-7-3-2-4-8-18/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,24,25).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate?
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate has a molecular weight of 379.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 2435041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).