2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide

C18H20N2O3 — CID 110754936

IUPAC2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCOc2ccccc21
InChIInChI=1S/C18H20N2O3/c1-13-7-8-16(22-2)14(11-13)19-18(21)12-20-9-10-23-17-6-4-3-5-15(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyWXZPWUJRBVNIES-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.84
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide

2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 110754936) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID110754936
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCOc2ccccc21
InChIInChI=1S/C18H20N2O3/c1-13-7-8-16(22-2)14(11-13)19-18(21)12-20-9-10-23-17-6-4-3-5-15(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)
InChIKeyWXZPWUJRBVNIES-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686607
2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9368281
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-(2-methoxy-5-methylphenyl)acetamide
CID 47064346
2-[7-(aminomethyl)-2,3-dihydro-1,4-benzoxazin-4-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 167855453
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110754901
N-(2-methoxyphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 22521365
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 8704671
N-(2,5-dimethoxyphenyl)-2-[(2R)-2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 25359216
2-(2,3-dihydro-1-benzofuran-3-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110753832
3-[[4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanoyl]amino]-4-methoxy-N,N-dimethylbenzamide
CID 56562974
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide (CID 110754936) is 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN1CCOc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is WXZPWUJRBVNIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13-7-8-16(22-2)14(11-13)19-18(21)12-20-9-10-23-17-6-4-3-5-15(17)20/h3-8,11H,9-10,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 312.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 110754936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).