3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide

C15H20N2O3 — CID 42786112

IUPAC3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1C(=O)COc2cc(C)ccc21
InChIInChI=1S/C15H20N2O3/c1-3-7-16-14(18)6-8-17-12-5-4-11(2)9-13(12)20-10-15(17)19/h4-5,9H,3,6-8,10H2,1-2H3,(H,16,18)
InChIKeyQLAMEUWTDZJCRN-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.64
Rot. Bonds5

About 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide

3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide (PubChem CID 42786112) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
PubChem CID42786112
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
SMILESCCCNC(=O)CCN1C(=O)COc2cc(C)ccc21
InChIInChI=1S/C15H20N2O3/c1-3-7-16-14(18)6-8-17-12-5-4-11(2)9-13(12)20-10-15(17)19/h4-5,9H,3,6-8,10H2,1-2H3,(H,16,18)
InChIKeyQLAMEUWTDZJCRN-UHFFFAOYSA-N
XLogP1.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 3282711
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 42786104
N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 39163215
N-[2-(dimethylamino)ethyl]-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46246200
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 7415487
4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propylbenzamide
CID 4256627
N-[2-(dimethylamino)ethyl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 143767409
2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-propylacetamide
CID 39043950
4-(3-aminopropyl)-7-methyl-1,4-benzoxazin-3-one
CID 82142367
N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 7495255
N-(2,4-dimethylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191692
4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 4104320

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide?
The IUPAC name of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide (CID 42786112) is 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide.
What is the SMILES notation for 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide?
The canonical SMILES for 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide is CCCNC(=O)CCN1C(=O)COc2cc(C)ccc21.
What is the InChIKey of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide?
The InChIKey is QLAMEUWTDZJCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-7-16-14(18)6-8-17-12-5-4-11(2)9-13(12)20-10-15(17)19/h4-5,9H,3,6-8,10H2,1-2H3,(H,16,18).
What are the key properties of 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide?
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide has a molecular weight of 276.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide is sourced from PubChem (CID 42786112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).