3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide

C19H22N2O3 — CID 110412637

IUPAC3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)OCCN2C
InChIInChI=1S/C19H22N2O3/c1-21-11-12-24-18-13-15(8-9-16(18)21)20-19(22)10-7-14-5-3-4-6-17(14)23-2/h3-6,8-9,13H,7,10-12H2,1-2H3,(H,20,22)
InChIKeyNGXTZEJNNDIZNR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.10
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide

3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide (PubChem CID 110412637) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
PubChem CID110412637
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide
SMILESCOc1ccccc1CCC(=O)Nc1ccc2c(c1)OCCN2C
InChIInChI=1S/C19H22N2O3/c1-21-11-12-24-18-13-15(8-9-16(18)21)20-19(22)10-7-14-5-3-4-6-17(14)23-2/h3-6,8-9,13H,7,10-12H2,1-2H3,(H,20,22)
InChIKeyNGXTZEJNNDIZNR-UHFFFAOYSA-N
XLogP3.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)acetamide
CID 110729427
3-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-6-yl)propanamide
CID 110729242
3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 110778123
2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-methoxyphenyl)methylamino]propanamide
CID 109022230
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 110639921
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-phenylpropanamide
CID 110639899
N-(3-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 7699788
N-[2-[(2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3-(2-methoxyphenyl)propanamide
CID 42558013
3-(2-methoxyphenyl)-N-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-7-yl)propanamide
CID 26409001

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide (CID 110412637) is 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide is COc1ccccc1CCC(=O)Nc1ccc2c(c1)OCCN2C.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide?
The InChIKey is NGXTZEJNNDIZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21-11-12-24-18-13-15(8-9-16(18)21)20-19(22)10-7-14-5-3-4-6-17(14)23-2/h3-6,8-9,13H,7,10-12H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide?
3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)propanamide is sourced from PubChem (CID 110412637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).