[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate

C18H17N3O5 — CID 2582351

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H17N3O5/c1-11(22)20-15-4-2-3-13(9-15)18(25)26-10-16(23)21-14-7-5-12(6-8-14)17(19)24/h2-9H,10H2,1H3,(H2,19,24)(H,20,22)(H,21,23)
InChIKeyJTWNFPURYJAKCR-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.54
Rot. Bonds6

About [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate

[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 2582351) has the molecular formula C18H17N3O5 and a molecular weight of 355.35 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID2582351
Molecular FormulaC18H17N3O5
Molecular Weight355.35 g/mol
Exact Mass355.12
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H17N3O5/c1-11(22)20-15-4-2-3-13(9-15)18(25)26-10-16(23)21-14-7-5-12(6-8-14)17(19)24/h2-9H,10H2,1H3,(H2,19,24)(H,20,22)(H,21,23)
InChIKeyJTWNFPURYJAKCR-UHFFFAOYSA-N
XLogP1.54
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27803985
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512945
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 2581774
[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676574
[2-(3-acetamidoanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8524816

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate (CID 2582351) is [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is JTWNFPURYJAKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5/c1-11(22)20-15-4-2-3-13(9-15)18(25)26-10-16(23)21-14-7-5-12(6-8-14)17(19)24/h2-9H,10H2,1H3,(H2,19,24)(H,20,22)(H,21,23).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate?
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 355.35 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 2582351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).