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

C18H18N2O3 — CID 110770562

IUPACN-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESCC1Oc2ccc(CC(=O)N(C)c3ccccc3)cc2NC1=O
InChIInChI=1S/C18H18N2O3/c1-12-18(22)19-15-10-13(8-9-16(15)23-12)11-17(21)20(2)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,19,22)
InChIKeyFVVOYGIVXCGGKQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.61
Rot. Bonds3

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

N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide (PubChem CID 110770562) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
PubChem CID110770562
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
SMILESCC1Oc2ccc(CC(=O)N(C)c3ccccc3)cc2NC1=O
InChIInChI=1S/C18H18N2O3/c1-12-18(22)19-15-10-13(8-9-16(15)23-12)11-17(21)20(2)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,19,22)
InChIKeyFVVOYGIVXCGGKQ-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetic acid
CID 96672277
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770558
N-methyl-2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770301
methyl-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamic acid
CID 115171007
N-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl bromide
CID 115193782
N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-phenoxypropanamide
CID 110783645
N-(2,6-dimethylphenyl)-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770569
4-[2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]piperazine-1-carbaldehyde
CID 110770518
N-[(2-fluorophenyl)methyl]-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770527
2-methyl-6-(2-oxo-2-pyrrolidin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 110770503
6-[[[3-[(benzylamino)methyl]phenyl]methylamino]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 22597518
N-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxoacetamide
CID 115166089

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The IUPAC name of N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide (CID 110770562) is N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The canonical SMILES for N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide is CC1Oc2ccc(CC(=O)N(C)c3ccccc3)cc2NC1=O.
What is the InChIKey of N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
The InChIKey is FVVOYGIVXCGGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-18(22)19-15-10-13(8-9-16(15)23-12)11-17(21)20(2)14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,19,22).
What are the key properties of N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide?
N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide has a molecular weight of 310.35 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide is sourced from PubChem (CID 110770562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).