N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C20H22N2O5 — CID 3240905

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccc(OC)c(CNC(=O)CCN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C20H22N2O5/c1-25-15-7-8-17(26-2)14(11-15)12-21-19(23)9-10-22-16-5-3-4-6-18(16)27-13-20(22)24/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeyWRPSRZLNZDKEBW-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.14
Rot. Bonds7

About N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 3240905) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID3240905
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCOc1ccc(OC)c(CNC(=O)CCN2C(=O)COc3ccccc32)c1
InChIInChI=1S/C20H22N2O5/c1-25-15-7-8-17(26-2)14(11-15)12-21-19(23)9-10-22-16-5-3-4-6-18(16)27-13-20(22)24/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeyWRPSRZLNZDKEBW-UHFFFAOYSA-N
XLogP2.14
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 3240905) is N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is COc1ccc(OC)c(CNC(=O)CCN2C(=O)COc3ccccc32)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is WRPSRZLNZDKEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-15-7-8-17(26-2)14(11-15)12-21-19(23)9-10-22-16-5-3-4-6-18(16)27-13-20(22)24/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 370.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 3240905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).