[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate

C19H18N2O5 — CID 2582150

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H18N2O5/c1-12(22)14-5-3-8-17(9-14)21-18(24)11-26-19(25)15-6-4-7-16(10-15)20-13(2)23/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHBBFQJFGJBHWNI-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.64
Rot. Bonds6

About [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate

[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 2582150) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID2582150
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C19H18N2O5/c1-12(22)14-5-3-8-17(9-14)21-18(24)11-26-19(25)15-6-4-7-16(10-15)20-13(2)23/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHBBFQJFGJBHWNI-UHFFFAOYSA-N
XLogP2.64
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
(2-anilino-2-oxoethyl) 3-acetylbenzoate
CID 46860675
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351
[2-(3,4-dimethylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582184
[2-(4-methoxyanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582238
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(3-acetylanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 8520707
[2-(3-acetylanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538231
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(3-acetylanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504471
[2-(3-acetylanilino)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
CID 2416445
[2-(4-acetamidoanilino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 27803985

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate (CID 2582150) is [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is HBBFQJFGJBHWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-12(22)14-5-3-8-17(9-14)21-18(24)11-26-19(25)15-6-4-7-16(10-15)20-13(2)23/h3-10H,11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate?
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 354.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 2582150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).