N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide

C18H20N2O2 — CID 944983

IUPACN-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(c1cc(C)ccc1C)CO2
InChIInChI=1S/C18H20N2O2/c1-12-4-5-13(2)17(8-12)20-10-15-9-16(19-14(3)21)6-7-18(15)22-11-20/h4-9H,10-11H2,1-3H3,(H,19,21)
InChIKeyKLTXBHKGHULBML-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.62
Rot. Bonds2

About N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide

N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide (PubChem CID 944983) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide
PubChem CID944983
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)CN(c1cc(C)ccc1C)CO2
InChIInChI=1S/C18H20N2O2/c1-12-4-5-13(2)17(8-12)20-10-15-9-16(19-14(3)21)6-7-18(15)22-11-20/h4-9H,10-11H2,1-3H3,(H,19,21)
InChIKeyKLTXBHKGHULBML-UHFFFAOYSA-N
XLogP3.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide?
The IUPAC name of N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide (CID 944983) is N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide.
What is the SMILES notation for N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide?
The canonical SMILES for N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)CN(c1cc(C)ccc1C)CO2.
What is the InChIKey of N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide?
The InChIKey is KLTXBHKGHULBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-4-5-13(2)17(8-12)20-10-15-9-16(19-14(3)21)6-7-18(15)22-11-20/h4-9H,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide?
N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide has a molecular weight of 296.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dimethylphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide is sourced from PubChem (CID 944983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).