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

C13H17N3O3 — CID 61250377

IUPAC2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H17N3O3/c1-2-3-9(14)13(18)15-8-4-5-11-10(6-8)16-12(17)7-19-11/h4-6,9H,2-3,7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyLNZOHCRHDKMFOF-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.08
Rot. Bonds4

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

2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide (PubChem CID 61250377) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
PubChem CID61250377
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C13H17N3O3/c1-2-3-9(14)13(18)15-8-4-5-11-10(6-8)16-12(17)7-19-11/h4-6,9H,2-3,7,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyLNZOHCRHDKMFOF-UHFFFAOYSA-N
XLogP1.08
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide;hydrochloride
CID 119279078
2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 62477125
6-(hexan-3-ylamino)-4H-1,4-benzoxazin-3-one
CID 103930958
2-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)pentanamide;hydrochloride
CID 119326451
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
2-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)pentanamide;hydrochloride
CID 119322353
4-amino-3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 81087224
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
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-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide?
The IUPAC name of 2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide (CID 61250377) is 2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide.
What is the SMILES notation for 2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide?
The canonical SMILES for 2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide is CCCC(N)C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide?
The InChIKey is LNZOHCRHDKMFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-3-9(14)13(18)15-8-4-5-11-10(6-8)16-12(17)7-19-11/h4-6,9H,2-3,7,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide?
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide has a molecular weight of 263.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide is sourced from PubChem (CID 61250377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).