2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide

C14H18ClN3O3 — CID 79813771

IUPAC2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C14H18ClN3O3/c1-3-14(16,4-2)13(20)18-9-6-11-10(5-8(9)15)17-12(19)7-21-11/h5-6H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQCHUNHFSBBQDPN-UHFFFAOYSA-N
MW311.77 g/mol
LogP2.13
Rot. Bonds4

About 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide

2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide (PubChem CID 79813771) has the molecular formula C14H18ClN3O3 and a molecular weight of 311.77 g/mol. Its IUPAC name is 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
PubChem CID79813771
Molecular FormulaC14H18ClN3O3
Molecular Weight311.77 g/mol
Exact Mass311.10
IUPAC Name2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C14H18ClN3O3/c1-3-14(16,4-2)13(20)18-9-6-11-10(5-8(9)15)17-12(19)7-21-11/h5-6H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQCHUNHFSBBQDPN-UHFFFAOYSA-N
XLogP2.13
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 43705147
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
(2S)-2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide;hydrochloride
CID 119288721
2-(aminomethyl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)pentanamide
CID 65224903
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
6-chloro-7-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-4H-1,4-benzoxazin-3-one
CID 81399867
1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-hexylurea
CID 47033887
(E)-4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-4-oxobut-2-enoic acid
CID 60941243
2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 64617792
7-(1-aminopropan-2-ylamino)-6-chloro-4H-1,4-benzoxazin-3-one
CID 103388297
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 79272383

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide?
The IUPAC name of 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide (CID 79813771) is 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide is CCC(N)(CC)C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2.
What is the InChIKey of 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide?
The InChIKey is QCHUNHFSBBQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3/c1-3-14(16,4-2)13(20)18-9-6-11-10(5-8(9)15)17-12(19)7-21-11/h5-6H,3-4,7,16H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide?
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide has a molecular weight of 311.77 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide is sourced from PubChem (CID 79813771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).