[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate

C19H26N2O4 — CID 7554876

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O4/c20-19(24)15-9-11-16(12-10-15)21-17(22)13-25-18(23)8-4-7-14-5-2-1-3-6-14/h9-12,14H,1-8,13H2,(H2,20,24)(H,21,22)
InChIKeyAOGILZFUSHEDOA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.02
Rot. Bonds8

About [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate

[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate (PubChem CID 7554876) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
PubChem CID7554876
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CCCC2CCCCC2)cc1
InChIInChI=1S/C19H26N2O4/c20-19(24)15-9-11-16(12-10-15)21-17(22)13-25-18(23)8-4-7-14-5-2-1-3-6-14/h9-12,14H,1-8,13H2,(H2,20,24)(H,21,22)
InChIKeyAOGILZFUSHEDOA-UHFFFAOYSA-N
XLogP3.02
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554889
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
CID 7149751
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554863
4-(4-cyclohexylbutanoylamino)benzoic acid
CID 10803376
[2-(2-iodoanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 18293041
[2-(4-carbamoylanilino)-2-oxoethyl] butanoate
CID 2092457
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate
CID 24567250
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 4-cyclohexylbutanoate
CID 55307493
methyl 4-[[2-[5-(cyclohexylamino)-5-oxopentanoyl]oxyacetyl]amino]benzoate
CID 9067659
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 3-cyclopentylpropanoate
CID 3952183

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate (CID 7554876) is [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate is NC(=O)c1ccc(NC(=O)COC(=O)CCCC2CCCCC2)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate?
The InChIKey is AOGILZFUSHEDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c20-19(24)15-9-11-16(12-10-15)21-17(22)13-25-18(23)8-4-7-14-5-2-1-3-6-14/h9-12,14H,1-8,13H2,(H2,20,24)(H,21,22).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate has a molecular weight of 346.43 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate is sourced from PubChem (CID 7554876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).