2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

C19H22N2O5 — CID 95073231

IUPAC2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)C[C@@H]2COc3ccccc3N2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-23-16-8-12(9-17(24-2)19(16)25-3)21-18(22)10-13-11-26-15-7-5-4-6-14(15)20-13/h4-9,13,20H,10-11H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyBUDYUJGJEGXLMW-CYBMUJFWSA-N
MW358.39 g/mol
LogP2.91
Rot. Bonds6

About 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 95073231) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID95073231
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)C[C@@H]2COc3ccccc3N2)cc(OC)c1OC
InChIInChI=1S/C19H22N2O5/c1-23-16-8-12(9-17(24-2)19(16)25-3)21-18(22)10-13-11-26-15-7-5-4-6-14(15)20-13/h4-9,13,20H,10-11H2,1-3H3,(H,21,22)/t13-/m1/s1
InChIKeyBUDYUJGJEGXLMW-CYBMUJFWSA-N
XLogP2.91
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxo-3,4-dihydro-1,4-benzoxazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16584915
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505
2-(2-bromophenyl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113098835
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 11914594
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6599122
N-(3,4,5-trimethoxyphenyl)-9H-xanthene-9-carboxamide
CID 2987222
2-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75531974
3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 51837621
2-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 41087886
N-(2-chlorophenyl)-N'-(3,4,5-trimethoxyphenyl)propanediamide
CID 108954919
(2R,3R)-2-methyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41117211

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 95073231) is 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)C[C@@H]2COc3ccccc3N2)cc(OC)c1OC.
What is the InChIKey of 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is BUDYUJGJEGXLMW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-23-16-8-12(9-17(24-2)19(16)25-3)21-18(22)10-13-11-26-15-7-5-4-6-14(15)20-13/h4-9,13,20H,10-11H2,1-3H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 358.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 95073231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).