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

C19H20N4O4 — CID 9039455

IUPAC2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
SMILESCOc1cccc(NCC(=O)N/N=C(/C)c2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C19H20N4O4/c1-12(13-6-7-17-16(8-13)21-19(25)11-27-17)22-23-18(24)10-20-14-4-3-5-15(9-14)26-2/h3-9,20H,10-11H2,1-2H3,(H,21,25)(H,23,24)/b22-12-
InChIKeyGGJUPMNEDOTWPQ-UUYOSTAYSA-N
MW368.39 g/mol
LogP1.98
Rot. Bonds6

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

2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide (PubChem CID 9039455) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
PubChem CID9039455
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
SMILESCOc1cccc(NCC(=O)N/N=C(/C)c2ccc3c(c2)NC(=O)CO3)c1
InChIInChI=1S/C19H20N4O4/c1-12(13-6-7-17-16(8-13)21-19(25)11-27-17)22-23-18(24)10-20-14-4-3-5-15(9-14)26-2/h3-9,20H,10-11H2,1-2H3,(H,21,25)(H,23,24)/b22-12-
InChIKeyGGJUPMNEDOTWPQ-UUYOSTAYSA-N
XLogP1.98
TPSA101.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(4-methylanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9035669
methyl N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]carbamate
CID 9211787
N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110345004
6-(3-methoxybenzoyl)-4H-1,4-benzoxazin-3-one
CID 43339539
2-(4-cyanophenoxy)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide
CID 9217788
N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]pyridine-3-carboxamide
CID 9211562
1-(2-methoxyethyl)-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea
CID 9217000
2-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
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
5-(4-fluorophenyl)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiophene-2-carboxamide
CID 9298327

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide (CID 9039455) is 2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide is COc1cccc(NCC(=O)N/N=C(/C)c2ccc3c(c2)NC(=O)CO3)c1.
What is the InChIKey of 2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
The InChIKey is GGJUPMNEDOTWPQ-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12(13-6-7-17-16(8-13)21-19(25)11-27-17)22-23-18(24)10-20-14-4-3-5-15(9-14)26-2/h3-9,20H,10-11H2,1-2H3,(H,21,25)(H,23,24)/b22-12-.
What are the key properties of 2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide?
2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide has a molecular weight of 368.39 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-N-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]acetamide is sourced from PubChem (CID 9039455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).