(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C18H18N2O5 — CID 34949890

IUPAC(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H18N2O5/c1-11(25-16-6-4-3-5-15(16)23-2)18(22)19-12-7-8-14-13(9-12)20-17(21)10-24-14/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyMYRUGDLFQWCHOS-NSHDSACASA-N
MW342.35 g/mol
LogP2.43
Rot. Bonds5

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

(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 34949890) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID34949890
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H18N2O5/c1-11(25-16-6-4-3-5-15(16)23-2)18(22)19-12-7-8-14-13(9-12)20-17(21)10-24-14/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)/t11-/m0/s1
InChIKeyMYRUGDLFQWCHOS-NSHDSACASA-N
XLogP2.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 17011277
(2R)-2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 35181696
2-(4-ethylphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 43843044
(E)-3-(2-methoxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 51153506
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
2-amino-4-methoxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 62477125
(2R)-2-(2-methoxyphenoxy)-N-naphthalen-2-ylpropanamide
CID 805506
(2R)-2-(4-fluorophenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 35573491
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 17187934
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
6-[hydroxy-(2-methoxyphenyl)methyl]-4H-1,4-benzoxazin-3-one
CID 61082603

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of (2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 34949890) is (2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for (2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for (2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is COc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of (2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is MYRUGDLFQWCHOS-NSHDSACASA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11(25-16-6-4-3-5-15(16)23-2)18(22)19-12-7-8-14-13(9-12)20-17(21)10-24-14/h3-9,11H,10H2,1-2H3,(H,19,22)(H,20,21)/t11-/m0/s1.
What are the key properties of (2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
(2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 342.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methoxyphenoxy)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 34949890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).