N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C20H22N2O4 — CID 75769078

IUPACN-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCOc1cccc(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)c1
InChIInChI=1S/C20H22N2O4/c1-13-6-7-17-16(10-13)22-20(24)18(26-17)12-19(23)21-9-8-14-4-3-5-15(11-14)25-2/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAHHBNYQRCZCGNH-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.45
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 75769078) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID75769078
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCOc1cccc(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)c1
InChIInChI=1S/C20H22N2O4/c1-13-6-7-17-16(10-13)22-20(24)18(26-17)12-19(23)21-9-8-14-4-3-5-15(11-14)25-2/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyAHHBNYQRCZCGNH-UHFFFAOYSA-N
XLogP2.45
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75769955
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 20881738
N-(3,4-dimethoxyphenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768978
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 110682798
N-(3-fluorophenyl)-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768967
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113124161
2-(2,5-dimethylphenyl)sulfinyl-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 75513079
N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-2-carboxamide
CID 50823441
3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025525

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 75769078) is N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is COc1cccc(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is AHHBNYQRCZCGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-6-7-17-16(10-13)22-20(24)18(26-17)12-19(23)21-9-8-14-4-3-5-15(11-14)25-2/h3-7,10-11,18H,8-9,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 75769078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).