3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide

C19H20N2O4 — CID 110713428

IUPAC3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc3c2NC(=O)C(C)O3)c1
InChIInChI=1S/C19H20N2O4/c1-12-19(23)21-18-15(7-4-8-16(18)25-12)20-17(22)10-9-13-5-3-6-14(11-13)24-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJCFORKBQLLKAQI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.99
Rot. Bonds5

About 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide

3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide (PubChem CID 110713428) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
PubChem CID110713428
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cccc3c2NC(=O)C(C)O3)c1
InChIInChI=1S/C19H20N2O4/c1-12-19(23)21-18-15(7-4-8-16(18)25-12)20-17(22)10-9-13-5-3-6-14(11-13)24-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyJCFORKBQLLKAQI-UHFFFAOYSA-N
XLogP2.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide?
The IUPAC name of 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide (CID 110713428) is 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide.
What is the SMILES notation for 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide?
The canonical SMILES for 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide is COc1cccc(CCC(=O)Nc2cccc3c2NC(=O)C(C)O3)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide?
The InChIKey is JCFORKBQLLKAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-19(23)21-18-15(7-4-8-16(18)25-12)20-17(22)10-9-13-5-3-6-14(11-13)24-2/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide?
3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide is sourced from PubChem (CID 110713428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).