N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide

C13H17N3O3 — CID 103075401

IUPACN-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide
SMILESCCNC(=O)CNCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H17N3O3/c1-2-15-12(17)7-14-6-9-3-4-11-10(5-9)16-13(18)8-19-11/h3-5,14H,2,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySVODZKJABAANFX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.24
Rot. Bonds5

About N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide

N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide (PubChem CID 103075401) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide
PubChem CID103075401
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide
SMILESCCNC(=O)CNCc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H17N3O3/c1-2-15-12(17)7-14-6-9-3-4-11-10(5-9)16-13(18)8-19-11/h3-5,14H,2,6-8H2,1H3,(H,15,17)(H,16,18)
InChIKeySVODZKJABAANFX-UHFFFAOYSA-N
XLogP0.24
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]propanamide
CID 103075759
6-[(2-methylprop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075841
2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]ethylurea
CID 103075743
2,2-dimethyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738388
methyl 4-oxo-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]butanoate
CID 110738387
6-[(3,3-dimethylbutylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075822
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771
6-[(prop-2-enylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075246
N-[(3-methylphenyl)methyl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770256
6-[(3-methylsulfanylpropylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075592
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
3-(4-fluorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]propanamide
CID 110738439

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide?
The IUPAC name of N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide (CID 103075401) is N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide?
The canonical SMILES for N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide is CCNC(=O)CNCc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide?
The InChIKey is SVODZKJABAANFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-15-12(17)7-14-6-9-3-4-11-10(5-9)16-13(18)8-19-11/h3-5,14H,2,6-8H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide?
N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide has a molecular weight of 263.30 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]acetamide is sourced from PubChem (CID 103075401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).