N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C18H18N2O5 — CID 20881633

IUPACN-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2Oc3ccccc3NC2=O)c1
InChIInChI=1S/C18H18N2O5/c1-23-11-7-8-14(24-2)13(9-11)19-17(21)10-16-18(22)20-12-5-3-4-6-15(12)25-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNOJABCJMNQKJHJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.43
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 20881633) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID20881633
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CC2Oc3ccccc3NC2=O)c1
InChIInChI=1S/C18H18N2O5/c1-23-11-7-8-14(24-2)13(9-11)19-17(21)10-16-18(22)20-12-5-3-4-6-15(12)25-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyNOJABCJMNQKJHJ-UHFFFAOYSA-N
XLogP2.43
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
N-(3-methoxyphenyl)-2-phenoxyacetamide
CID 819750
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 301730
2-(4-bromophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 2954018
N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149662
N,N'-bis(2-ethoxyphenyl)succinamide
CID 1294108
N-(2,5-dimethoxyphenyl)-2-methoxyacetamide
CID 532085
N-(4-acetamido-2,5-diethoxyphenyl)oxolane-2-carboxamide
CID 648903
2-(2-Ethyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(2-methoxy-phenyl)-acetamide
CID 653285
2-(4-methoxyphenoxy)-N-(2-methoxyphenyl)acetamide
CID 868087
2-(3-acetamidophenoxy)-N-phenylacetamide
CID 898263

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 20881633) is N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is COc1ccc(OC)c(NC(=O)CC2Oc3ccccc3NC2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is NOJABCJMNQKJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-11-7-8-14(24-2)13(9-11)19-17(21)10-16-18(22)20-12-5-3-4-6-15(12)25-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 342.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 20881633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).