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

C20H24N2O4 — CID 5308092

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CCOc3ccccc32)cc1OC
InChIInChI=1S/C20H24N2O4/c1-24-18-8-7-15(13-19(18)25-2)9-10-21-20(23)14-22-11-12-26-17-6-4-3-5-16(17)22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyKUGXBIWLSKTSIS-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.26
Rot. Bonds7

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

2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 5308092) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID5308092
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2CCOc3ccccc32)cc1OC
InChIInChI=1S/C20H24N2O4/c1-24-18-8-7-15(13-19(18)25-2)9-10-21-20(23)14-22-11-12-26-17-6-4-3-5-16(17)22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23)
InChIKeyKUGXBIWLSKTSIS-UHFFFAOYSA-N
XLogP2.26
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 5308092) is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN2CCOc3ccccc32)cc1OC.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is KUGXBIWLSKTSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-24-18-8-7-15(13-19(18)25-2)9-10-21-20(23)14-22-11-12-26-17-6-4-3-5-16(17)22/h3-8,13H,9-12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 356.42 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 5308092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).