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

C13H16N2O4 — CID 2092457

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] butanoate
SMILESCCCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H16N2O4/c1-2-3-12(17)19-8-11(16)15-10-6-4-9(5-7-10)13(14)18/h4-7H,2-3,8H2,1H3,(H2,14,18)(H,15,16)
InChIKeyHIDWDMZUOUEISV-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.07
Rot. Bonds6

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

[2-(4-carbamoylanilino)-2-oxoethyl] butanoate (PubChem CID 2092457) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] butanoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] butanoate
PubChem CID2092457
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] butanoate
SMILESCCCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H16N2O4/c1-2-3-12(17)19-8-11(16)15-10-6-4-9(5-7-10)13(14)18/h4-7H,2-3,8H2,1H3,(H2,14,18)(H,15,16)
InChIKeyHIDWDMZUOUEISV-UHFFFAOYSA-N
XLogP1.07
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 7791225
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 7856033
methyl 4-(4-carbamoylanilino)-4-oxobutanoate
CID 721935
[2-(3-bromoanilino)-2-oxoethyl] butanoate
CID 2352053
[2-(4-carbamoylanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673185
[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2353518
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 2577038
[2-(4-carbamoylanilino)-2-oxoethyl] 4-cyclohexylbutanoate
CID 7554876
[2-(4-carbamoylanilino)-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 2114618
propyl 4-[(4-carbamoylphenyl)carbamothioylamino]-4-oxobutanoate
CID 4933456
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899536
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-fluorophenoxy)acetate
CID 7791695

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] butanoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] butanoate (CID 2092457) is [2-(4-carbamoylanilino)-2-oxoethyl] butanoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] butanoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] butanoate is CCCC(=O)OCC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] butanoate?
The InChIKey is HIDWDMZUOUEISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-2-3-12(17)19-8-11(16)15-10-6-4-9(5-7-10)13(14)18/h4-7H,2-3,8H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] butanoate?
[2-(4-carbamoylanilino)-2-oxoethyl] butanoate has a molecular weight of 264.28 g/mol, XLogP of 1.07, 6 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] butanoate is sourced from PubChem (CID 2092457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).