N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

C19H20N2O3 — CID 5309188

IUPACN-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)N(C)Cc1ccccc1)O2
InChIInChI=1S/C19H20N2O3/c1-13-8-9-16-15(10-13)20-19(23)17(24-16)11-18(22)21(2)12-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,20,23)
InChIKeyIIROHAHLTGYHGV-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.74
Rot. Bonds4

About N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide

N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (PubChem CID 5309188) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
PubChem CID5309188
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
SMILESCc1ccc2c(c1)NC(=O)C(CC(=O)N(C)Cc1ccccc1)O2
InChIInChI=1S/C19H20N2O3/c1-13-8-9-16-15(10-13)20-19(23)17(24-16)11-18(22)21(2)12-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,20,23)
InChIKeyIIROHAHLTGYHGV-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-8-(piperazin-1-yl)-4H-benzo[1,4]oxazin-3-one
CID 10019089
4-(4-Methoxy-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1431724
2-(2-Ethyl-6-methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-N-(tetrahydro-furan-2-ylmethyl)-acetamide
CID 3155043
N-(3-chloro-2-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
CID 16010817
Methyl (6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetate
CID 4430867
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
6-[[(3~{S})-7-fluoranyl-3-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-4-yl]carbonyl]-4~{H}-1,4-benzoxazin-3-one
CID 135567449
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanamide
CID 3236663
4-Cyanomethyl-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid phenylamide
CID 1442281
4H-1,4-Benzoxazine-4-acetamide,2,3-dihydro-N-(2-methoxy-5-methylphenyl)-6-methyl-3-oxo-(9CI)
CID 1455749
N-(2-fluorophenyl)-2-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetamide
CID 1455757
4-[2-(4-Hydroxy-piperidin-1-yl)-2-oxo-ethyl]-6-methyl-4H-benzo[1,4]oxazin-3-one
CID 1455770

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The IUPAC name of N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide (CID 5309188) is N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The canonical SMILES for N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is Cc1ccc2c(c1)NC(=O)C(CC(=O)N(C)Cc1ccccc1)O2.
What is the InChIKey of N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
The InChIKey is IIROHAHLTGYHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-8-9-16-15(10-13)20-19(23)17(24-16)11-18(22)21(2)12-14-6-4-3-5-7-14/h3-10,17H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide?
N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(6-methyl-3-oxo-4H-1,4-benzoxazin-2-yl)acetamide is sourced from PubChem (CID 5309188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).