N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

C20H22N2O5 — CID 3324478

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1OC
InChIInChI=1S/C20H22N2O5/c1-25-17-8-7-14(11-18(17)26-2)9-10-21-19(23)12-22-15-5-3-4-6-16(15)27-13-20(22)24/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeySRGVXWVDSTUJGI-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.79
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3324478) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3324478
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1OC
InChIInChI=1S/C20H22N2O5/c1-25-17-8-7-14(11-18(17)26-2)9-10-21-19(23)12-22-15-5-3-4-6-16(15)27-13-20(22)24/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeySRGVXWVDSTUJGI-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3324478) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is COc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is SRGVXWVDSTUJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-25-17-8-7-14(11-18(17)26-2)9-10-21-19(23)12-22-15-5-3-4-6-16(15)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-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3324478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).