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

C18H20N2O3 — CID 945487

IUPACN-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide
SMILESCCOc1ccc(N2COc3ccc(NC(C)=O)cc3C2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-22-17-7-5-16(6-8-17)20-11-14-10-15(19-13(2)21)4-9-18(14)23-12-20/h4-10H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyYKDZSPFOZQNWHF-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.40
Rot. Bonds4

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

N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide (PubChem CID 945487) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide
PubChem CID945487
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC NameN-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide
SMILESCCOc1ccc(N2COc3ccc(NC(C)=O)cc3C2)cc1
InChIInChI=1S/C18H20N2O3/c1-3-22-17-7-5-16(6-8-17)20-11-14-10-15(19-13(2)21)4-9-18(14)23-12-20/h4-10H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyYKDZSPFOZQNWHF-UHFFFAOYSA-N
XLogP3.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

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CID 38558658
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N-[4-(4-ethyl-2-oxo-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-9-yl)phenyl]acetamide
CID 4897785
(4-ethoxyanilino) acetate
CID 71333792
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
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2-(4-ethoxyphenoxy)-N-(4-morpholin-4-ylphenyl)propanamide
CID 53267110
N-[4-[2-(4-ethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]acetamide
CID 23958782
3-acetamido-N-(4-ethoxyphenyl)benzamide
CID 17396899
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
6-(2,4-dihydro-1,3-benzoxazin-3-yl)-3-[3-(3-phenyl-2,4-dihydro-1,3-benzoxazin-6-yl)-2,4-dihydro-1,3-benzoxazin-6-yl]-2,4-dihydro-1,3-benzoxazine
CID 132528503
4-ethoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 22597840
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3886890

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide (CID 945487) is N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide is CCOc1ccc(N2COc3ccc(NC(C)=O)cc3C2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide?
The InChIKey is YKDZSPFOZQNWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-22-17-7-5-16(6-8-17)20-11-14-10-15(19-13(2)21)4-9-18(14)23-12-20/h4-10H,3,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide?
N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide has a molecular weight of 312.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)-2,4-dihydro-1,3-benzoxazin-6-yl]acetamide is sourced from PubChem (CID 945487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).