2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

C13H17N3O4 — CID 62477125

IUPAC2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCOCCC(N)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H17N3O4/c1-19-5-4-9(14)13(18)15-8-2-3-11-10(6-8)16-12(17)7-20-11/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyAZGJAPNUSQFHBN-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.32
Rot. Bonds5

About 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide

2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (PubChem CID 62477125) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
PubChem CID62477125
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
SMILESCOCCC(N)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H17N3O4/c1-19-5-4-9(14)13(18)15-8-2-3-11-10(6-8)16-12(17)7-20-11/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyAZGJAPNUSQFHBN-UHFFFAOYSA-N
XLogP0.32
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride
CID 119279078
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 34949890
4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 81087224
2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 17011277
2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 43843044
(2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 35181696
(2S)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 35573493
(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 35573491
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 60637259
3,3-dimethyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 24654705

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide (CID 62477125) is 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is COCCC(N)C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is AZGJAPNUSQFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-19-5-4-9(14)13(18)15-8-2-3-11-10(6-8)16-12(17)7-20-11/h2-3,6,9H,4-5,7,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide?
2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 279.30 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 62477125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).