cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate

C23H28N2O3 — CID 7636802

IUPACcyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate
SMILESCc1ccc(NC(=O)CNc2ccc(C(=O)OC3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C23H28N2O3/c1-16-8-13-21(17(2)14-16)25-22(26)15-24-19-11-9-18(10-12-19)23(27)28-20-6-4-3-5-7-20/h8-14,20,24H,3-7,15H2,1-2H3,(H,25,26)
InChIKeyKYTOWMZHLRLYDI-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.84
Rot. Bonds6

About cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate

cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate (PubChem CID 7636802) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namecyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate
PubChem CID7636802
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Namecyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate
SMILESCc1ccc(NC(=O)CNc2ccc(C(=O)OC3CCCCC3)cc2)c(C)c1
InChIInChI=1S/C23H28N2O3/c1-16-8-13-21(17(2)14-16)25-22(26)15-24-19-11-9-18(10-12-19)23(27)28-20-6-4-3-5-7-20/h8-14,20,24H,3-7,15H2,1-2H3,(H,25,26)
InChIKeyKYTOWMZHLRLYDI-UHFFFAOYSA-N
XLogP4.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821256
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
CID 7636771
4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9084001
cyclododecyl 4-acetamidobenzoate
CID 3973983
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cycloheptyl 4-(2-hydroxyethylamino)benzoate
CID 61304114
N-[4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830530
N-(2,4-dimethylphenyl)-2-(4-nitroanilino)acetamide
CID 9082075
cyclohexyl 4-(3-methylbutanoylamino)benzoate
CID 17128664
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
[2-(2,4-dimethylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495268
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)acetamide
CID 7636776

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate?
The IUPAC name of cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate (CID 7636802) is cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate?
The canonical SMILES for cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate is Cc1ccc(NC(=O)CNc2ccc(C(=O)OC3CCCCC3)cc2)c(C)c1.
What is the InChIKey of cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate?
The InChIKey is KYTOWMZHLRLYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-8-13-21(17(2)14-16)25-22(26)15-24-19-11-9-18(10-12-19)23(27)28-20-6-4-3-5-7-20/h8-14,20,24H,3-7,15H2,1-2H3,(H,25,26).
What are the key properties of cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate?
cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate has a molecular weight of 380.49 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 7636802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).