ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate

C22H26N2O3 — CID 112989355

IUPACethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-27-22(26)17-8-10-18(11-9-17)23-19-12-14-20(15-13-19)24-21(25)16-6-4-3-5-7-16/h8-16,23H,2-7H2,1H3,(H,24,25)
InChIKeyBQSVBHNKGGEKQA-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.13
Rot. Bonds6

About ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate

ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate (PubChem CID 112989355) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate.

Molecular Properties

Compound Nameethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
PubChem CID112989355
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
SMILESCCOC(=O)c1ccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H26N2O3/c1-2-27-22(26)17-8-10-18(11-9-17)23-19-12-14-20(15-13-19)24-21(25)16-6-4-3-5-7-16/h8-16,23H,2-7H2,1H3,(H,24,25)
InChIKeyBQSVBHNKGGEKQA-UHFFFAOYSA-N
XLogP5.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
ethyl 4-[[4-(diethylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109149492
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
ethyl 4-(cyclododecylcarbamothioylamino)benzoate
CID 19652499
cis-(1R,2S)-2-[(4-ethoxycarbonylphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6939063
ethyl 4-[4-(cyclopropylcarbamoylamino)anilino]benzoate
CID 112989391
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151140
ethyl 4-[[2-[4-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate
CID 19630791
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
ethyl 4-[[2-(cyclopentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109132150
ethyl 4-[[1-(2-ethylbutanoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008394
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate?
The IUPAC name of ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate (CID 112989355) is ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate.
What is the SMILES notation for ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate?
The canonical SMILES for ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate is CCOC(=O)c1ccc(Nc2ccc(NC(=O)C3CCCCC3)cc2)cc1.
What is the InChIKey of ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate?
The InChIKey is BQSVBHNKGGEKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-2-27-22(26)17-8-10-18(11-9-17)23-19-12-14-20(15-13-19)24-21(25)16-6-4-3-5-7-16/h8-16,23H,2-7H2,1H3,(H,24,25).
What are the key properties of ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate?
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate has a molecular weight of 366.46 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate is sourced from PubChem (CID 112989355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).