N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide

C20H22N2O4 — CID 3882899

IUPACN-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
SMILESCOCCNC(=O)c1ccc(CN2C(=O)COc3cc(C)ccc32)cc1
InChIInChI=1S/C20H22N2O4/c1-14-3-8-17-18(11-14)26-13-19(23)22(17)12-15-4-6-16(7-5-15)20(24)21-9-10-25-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyNKNJSSHMKNVMMQ-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.30
Rot. Bonds6

About N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide

N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide (PubChem CID 3882899) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
PubChem CID3882899
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
SMILESCOCCNC(=O)c1ccc(CN2C(=O)COc3cc(C)ccc32)cc1
InChIInChI=1S/C20H22N2O4/c1-14-3-8-17-18(11-14)26-13-19(23)22(17)12-15-4-6-16(7-5-15)20(24)21-9-10-25-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyNKNJSSHMKNVMMQ-UHFFFAOYSA-N
XLogP2.30
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propylbenzamide
CID 4256627
4-benzyl-N-(2-methoxyethyl)-3-oxo-1,4-benzoxazine-6-carboxamide
CID 53023793
4-methyl-N-[4-[(4-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]benzamide
CID 6488701
N-[(4-fluorophenyl)methyl]-4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide
CID 4590099
3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 4221788
N-(2-methoxyethyl)-5-[(3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786181
7-methyl-4-[[4-[4-(2-methylphenyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one
CID 3552821
4-[[4-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]-7-methyl-1,4-benzoxazin-3-one
CID 3640515
methyl 4-[(3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 17047028
propan-2-yl 4-[(6-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzoate
CID 23411118
N,N-diethyl-5-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]furan-2-carboxamide
CID 42786202
3-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 4676190

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide (CID 3882899) is N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide is COCCNC(=O)c1ccc(CN2C(=O)COc3cc(C)ccc32)cc1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide?
The InChIKey is NKNJSSHMKNVMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-3-8-17-18(11-14)26-13-19(23)22(17)12-15-4-6-16(7-5-15)20(24)21-9-10-25-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide?
N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(7-methyl-3-oxo-1,4-benzoxazin-4-yl)methyl]benzamide is sourced from PubChem (CID 3882899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).