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

C19H19N3O5 — CID 2582447

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H19N3O5/c1-12(23)20-15-6-8-16(9-7-15)22-18(25)11-27-19(26)14-4-3-5-17(10-14)21-13(2)24/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKVDPVNPXKPQACX-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.40
Rot. Bonds6

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

[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 2582447) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID2582447
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C19H19N3O5/c1-12(23)20-15-6-8-16(9-7-15)22-18(25)11-27-19(26)14-4-3-5-17(10-14)21-13(2)24/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKVDPVNPXKPQACX-UHFFFAOYSA-N
XLogP2.40
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[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-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 2581774
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(4-acetamidoanilino)-2-oxoethyl] 3-(difluoromethoxy)benzoate
CID 2512945
[2-(3-acetamidoanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7676574
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 42970130

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate (CID 2582447) is [2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is KVDPVNPXKPQACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12(23)20-15-6-8-16(9-7-15)22-18(25)11-27-19(26)14-4-3-5-17(10-14)21-13(2)24/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 369.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 2582447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).