[2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate

C19H17N3O6 — CID 138041946

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C19H17N3O6/c1-11(23)20-13-3-2-4-14(8-13)21-17(24)10-28-19(26)12-5-6-16-15(7-12)22-18(25)9-27-16/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyAUAFQCBZNFQZFN-UHFFFAOYSA-N
MW383.36 g/mol
LogP1.77
Rot. Bonds5

About [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate

[2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate (PubChem CID 138041946) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate
PubChem CID138041946
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C19H17N3O6/c1-11(23)20-13-3-2-4-14(8-13)21-17(24)10-28-19(26)12-5-6-16-15(7-12)22-18(25)9-27-16/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyAUAFQCBZNFQZFN-UHFFFAOYSA-N
XLogP1.77
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate with MolForge

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Related Compounds

N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 2581774
N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110345004
butyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate
CID 112724842
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(3-acetylanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 16506067
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344996
[2-(3-acetamidoanilino)-2-oxoethyl] 3-fluorobenzoate
CID 8611978
[2-(4-carbamoylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582351

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate (CID 138041946) is [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate is CC(=O)Nc1cccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)CO3)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate?
The InChIKey is AUAFQCBZNFQZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-11(23)20-13-3-2-4-14(8-13)21-17(24)10-28-19(26)12-5-6-16-15(7-12)22-18(25)9-27-16/h2-8H,9-10H2,1H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate?
[2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate has a molecular weight of 383.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 3-oxo-4H-1,4-benzoxazine-6-carboxylate is sourced from PubChem (CID 138041946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).