N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C19H20N2O4 — CID 3242687

IUPACN-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C19H20N2O4/c1-24-16-8-4-2-6-14(16)12-20-18(22)10-11-21-15-7-3-5-9-17(15)25-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyHLDOUHBVEWTMNU-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.13
Rot. Bonds6

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

N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 3242687) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID3242687
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21
InChIInChI=1S/C19H20N2O4/c1-24-16-8-4-2-6-14(16)12-20-18(22)10-11-21-15-7-3-5-9-17(15)25-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22)
InChIKeyHLDOUHBVEWTMNU-UHFFFAOYSA-N
XLogP2.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AC-260584
CID 9928284
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
1-[(4R)-7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 71611910
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
2-Methoxyfentanyl
CID 12741853
4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
6-{2-[4-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-1-piperazinyl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
CID 10319235
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 3242687) is N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is COc1ccccc1CNC(=O)CCN1C(=O)COc2ccccc21.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is HLDOUHBVEWTMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-16-8-4-2-6-14(16)12-20-18(22)10-11-21-15-7-3-5-9-17(15)25-13-19(21)23/h2-9H,10-13H2,1H3,(H,20,22).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 3242687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).