N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

C12H14N2O4 — CID 83274535

IUPACN-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H14N2O4/c1-17-5-4-13-12(16)8-2-3-10-9(6-8)14-11(15)7-18-10/h2-3,6H,4-5,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyCGYPHMWOPFPPEA-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.39
Rot. Bonds4

About N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide

N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 83274535) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
PubChem CID83274535
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC NameN-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H14N2O4/c1-17-5-4-13-12(16)8-2-3-10-9(6-8)14-11(15)7-18-10/h2-3,6H,4-5,7H2,1H3,(H,13,16)(H,14,15)
InChIKeyCGYPHMWOPFPPEA-UHFFFAOYSA-N
XLogP0.39
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763772
N-[3-(2-methylpropoxy)propyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 86907913
1-(2-methoxyethyl)-3-[(Z)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylideneamino]thiourea
CID 9217000
N-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 46286909
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-6-carbonyl)amino]acetate
CID 60811784
3-oxo-N-(2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 53362064
N-(5-hydroxy-4-methylpentyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 103861469
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 120888271
3-oxo-N-(2-thiophen-2-ylethyl)-4H-1,4-benzoxazine-6-carboxamide
CID 110763768
N-(2-amino-2-ethylbutyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119639796
N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560
N-(3-amino-2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide;hydrochloride
CID 119998216

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide (CID 83274535) is N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is COCCNC(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is CGYPHMWOPFPPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-17-5-4-13-12(16)8-2-3-10-9(6-8)14-11(15)7-18-10/h2-3,6H,4-5,7H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide?
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 250.25 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 83274535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).