2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide

C19H20N4O3 — CID 9035669

IUPAC2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H20N4O3/c1-12-3-6-15(7-4-12)20-10-18(24)23-22-13(2)14-5-8-17-16(9-14)21-19(25)11-26-17/h3-9,20H,10-11H2,1-2H3,(H,21,25)(H,23,24)/b22-13-
InChIKeySJQCXNUEOOTUEO-XKZIYDEJSA-N
MW352.39 g/mol
LogP2.28
Rot. Bonds5

About 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide

2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide (PubChem CID 9035669) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
PubChem CID9035669
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C19H20N4O3/c1-12-3-6-15(7-4-12)20-10-18(24)23-22-13(2)14-5-8-17-16(9-14)21-19(25)11-26-17/h3-9,20H,10-11H2,1-2H3,(H,21,25)(H,23,24)/b22-13-
InChIKeySJQCXNUEOOTUEO-XKZIYDEJSA-N
XLogP2.28
TPSA91.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-anilino-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035563
2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9039455
methyl N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]carbamate
CID 9211787
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982
2-(4-cyanophenoxy)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9217788
5-(4-fluorophenyl)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiophene-2-carboxamide
CID 9298327
6-[(Z)-N-(3-chloro-4-methylanilino)-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 9211607
6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4H-1,4-benzoxazin-3-one
CID 45286055
2,5-dichloro-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]benzamide
CID 9233411
6-[(4-methylanilino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075325
N-[(E)-1-(4-bromophenyl)ethylideneamino]-2-(4-methylanilino)acetamide
CID 5457542
N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide
CID 9211562

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide (CID 9035669) is 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide is C/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
The InChIKey is SJQCXNUEOOTUEO-XKZIYDEJSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-3-6-15(7-4-12)20-10-18(24)23-22-13(2)14-5-8-17-16(9-14)21-19(25)11-26-17/h3-9,20H,10-11H2,1-2H3,(H,21,25)(H,23,24)/b22-13-.
What are the key properties of 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide has a molecular weight of 352.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide is sourced from PubChem (CID 9035669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).