N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide

C21H24N2O4 — CID 75768732

IUPACN-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)C2(C)Oc3ccc(C)cc3N(C)C2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-5-26-16-9-7-15(8-10-16)13-22-19(24)21(3)20(25)23(4)17-12-14(2)6-11-18(17)27-21/h6-12H,5,13H2,1-4H3,(H,22,24)
InChIKeyQPODPGDLEQDDCY-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.82
Rot. Bonds5

About N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide

N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (PubChem CID 75768732) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
PubChem CID75768732
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCCOc1ccc(CNC(=O)C2(C)Oc3ccc(C)cc3N(C)C2=O)cc1
InChIInChI=1S/C21H24N2O4/c1-5-26-16-9-7-15(8-10-16)13-22-19(24)21(3)20(25)23(4)17-12-14(2)6-11-18(17)27-21/h6-12H,5,13H2,1-4H3,(H,22,24)
InChIKeyQPODPGDLEQDDCY-UHFFFAOYSA-N
XLogP2.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethyl-3-oxo-N-propyl-1,4-benzoxazine-2-carboxamide
CID 75768632
2,4,6-trimethyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzoxazine-2-carboxamide
CID 75768621
N-(3,4-dimethylphenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768603
2,4,6-trimethyl-N-(3-methyl-2-pyridinyl)-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769904
N-(2-chlorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75769516
N-(3-fluorophenyl)-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768599
methyl 1,3-dimethyl-4-[(2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carbonyl)amino]pyrazole-5-carboxylate
CID 75769565
2-(2,6-dimethylmorpholine-4-carbonyl)-2,4,6-trimethyl-1,4-benzoxazin-3-one
CID 75768674
2,4,6-trimethyl-N-[3-(morpholin-4-ylmethyl)phenyl]-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768711
4-(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)-N-[(4-ethoxyphenyl)methyl]-4-oxobutanamide
CID 22512885
1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363730
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (CID 75768732) is N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is CCOc1ccc(CNC(=O)C2(C)Oc3ccc(C)cc3N(C)C2=O)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The InChIKey is QPODPGDLEQDDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-5-26-16-9-7-15(8-10-16)13-22-19(24)21(3)20(25)23(4)17-12-14(2)6-11-18(17)27-21/h6-12H,5,13H2,1-4H3,(H,22,24).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75768732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).