N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

C20H22N2O5 — CID 9225247

IUPACN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCOc1ccc(OCCN(C)C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1
InChIInChI=1S/C20H22N2O5/c1-22(11-12-26-15-9-7-14(25-2)8-10-15)19(23)13-18-20(24)21-16-5-3-4-6-17(16)27-18/h3-10,18H,11-13H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyFNSKZRQNAHBXIN-GOSISDBHSA-N
MW370.41 g/mol
LogP2.32
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 9225247) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID9225247
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESCOc1ccc(OCCN(C)C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1
InChIInChI=1S/C20H22N2O5/c1-22(11-12-26-15-9-7-14(25-2)8-10-15)19(23)13-18-20(24)21-16-5-3-4-6-17(16)27-18/h3-10,18H,11-13H2,1-2H3,(H,21,24)/t18-/m1/s1
InChIKeyFNSKZRQNAHBXIN-GOSISDBHSA-N
XLogP2.32
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide with MolForge

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Related Compounds

2-[4-[[methyl-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetyl]amino]methyl]phenoxy]acetic acid
CID 120538087
N-[(4-methoxyphenyl)methyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 7481010
2-(2,6-dimethylphenoxy)ethyl 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate
CID 42918596
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methyl 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 41067208
N-[2-(4-methoxyphenoxy)ethyl]-N,2-dimethyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 46578162
2-[2-(2-ethoxy-2-oxoethyl)phenyl]ethyl 2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetate
CID 166216656
[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 9309496
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 8538927
methyl (2R)-3-hydroxy-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]propanoate
CID 9278062
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetohydrazide
CID 9374032
methyl (2S)-3-hydroxy-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]propanoate
CID 9278063
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 9225247) is N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is COc1ccc(OCCN(C)C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is FNSKZRQNAHBXIN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-22(11-12-26-15-9-7-14(25-2)8-10-15)19(23)13-18-20(24)21-16-5-3-4-6-17(16)27-18/h3-10,18H,11-13H2,1-2H3,(H,21,24)/t18-/m1/s1.
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 9225247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).