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

C19H19N3O5 — CID 7654344

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H19N3O5/c1-12(23)20-15-5-3-14(4-6-15)19(26)27-11-18(25)22-17-9-7-16(8-10-17)21-13(2)24/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyZVXGRFAVMUVJCR-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.40
Rot. Bonds6

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

[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate (PubChem CID 7654344) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
PubChem CID7654344
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C19H19N3O5/c1-12(23)20-15-5-3-14(4-6-15)19(26)27-11-18(25)22-17-9-7-16(8-10-17)21-13(2)24/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyZVXGRFAVMUVJCR-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-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275137
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949966
[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
CID 7654146
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8986523
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(2-methylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2378879
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 4-acetamidobenzoate
CID 4855145
[2-(4-acetamidoanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 55310490
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate (CID 7654344) is [2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(NC(=O)COC(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate?
The InChIKey is ZVXGRFAVMUVJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-12(23)20-15-5-3-14(4-6-15)19(26)27-11-18(25)22-17-9-7-16(8-10-17)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] 4-acetamidobenzoate?
[2-(4-acetamidoanilino)-2-oxoethyl] 4-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] 4-acetamidobenzoate is sourced from PubChem (CID 7654344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).