(2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C19H20N2O4 — CID 35181696

IUPAC(2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCCc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C19H20N2O4/c1-3-13-4-7-15(8-5-13)25-12(2)19(23)20-14-6-9-17-16(10-14)21-18(22)11-24-17/h4-10,12H,3,11H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyYAOBDURQTKWVFX-GFCCVEGCSA-N
MW340.38 g/mol
LogP2.99
Rot. Bonds5

About (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

(2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 35181696) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID35181696
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name(2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCCc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1
InChIInChI=1S/C19H20N2O4/c1-3-13-4-7-15(8-5-13)25-12(2)19(23)20-14-6-9-17-16(10-14)21-18(22)11-24-17/h4-10,12H,3,11H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1
InChIKeyYAOBDURQTKWVFX-GFCCVEGCSA-N
XLogP2.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 43843044
2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 17011277
(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 35573491
(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 34949890
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 62477125
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 35181696) is (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is CCc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1.
What is the InChIKey of (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is YAOBDURQTKWVFX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-13-4-7-15(8-5-13)25-12(2)19(23)20-14-6-9-17-16(10-14)21-18(22)11-24-17/h4-10,12H,3,11H2,1-2H3,(H,20,23)(H,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
(2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 35181696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).