N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide

C20H22N2O3 — CID 46857198

IUPACN-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN1C(=O)COc2cc(C)ccc21)c1cccc(C)c1
InChIInChI=1S/C20H22N2O3/c1-4-21(16-7-5-6-14(2)10-16)19(23)12-22-17-9-8-15(3)11-18(17)25-13-20(22)24/h5-11H,4,12-13H2,1-3H3
InChIKeyKGSRPEWGGGKGLK-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.08
Rot. Bonds4

About N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide

N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide (PubChem CID 46857198) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide
PubChem CID46857198
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN1C(=O)COc2cc(C)ccc21)c1cccc(C)c1
InChIInChI=1S/C20H22N2O3/c1-4-21(16-7-5-6-14(2)10-16)19(23)12-22-17-9-8-15(3)11-18(17)25-13-20(22)24/h5-11H,4,12-13H2,1-3H3
InChIKeyKGSRPEWGGGKGLK-UHFFFAOYSA-N
XLogP3.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-bromo-3-oxo-1,4-benzoxazin-4-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 38967504
N-[(2R)-butan-2-yl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 7495255
7-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 3956945
7-methyl-4-(2-oxo-2-piperazin-1-ylethyl)-1,4-benzoxazin-3-one
CID 39161811
2-methyl-2-[[2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanoic acid
CID 92942487
N-[2-(dimethylamino)ethyl]-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 143767409
2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-ethyl-N-(3-methylphenyl)acetamide
CID 91894907
N-ethyl-N,2-bis(3-methylphenyl)acetamide
CID 113099036
2-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 112684612
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-propylpropanamide
CID 42786112
N-ethyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 109011137
N,N-diethyl-5-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786202

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide (CID 46857198) is N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide is CCN(C(=O)CN1C(=O)COc2cc(C)ccc21)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is KGSRPEWGGGKGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-21(16-7-5-6-14(2)10-16)19(23)12-22-17-9-8-15(3)11-18(17)25-13-20(22)24/h5-11H,4,12-13H2,1-3H3.
What are the key properties of N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide?
N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 46857198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).