4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide

C18H20N2O4 — CID 75768333

IUPAC4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)N(C)Cc2ccco2)Oc2ccccc21
InChIInChI=1S/C18H20N2O4/c1-4-20-14-9-5-6-10-15(14)24-18(2,17(20)22)16(21)19(3)12-13-8-7-11-23-13/h5-11H,4,12H2,1-3H3
InChIKeyQYBUTPDEHQYQGY-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.44
Rot. Bonds4

About 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide

4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (PubChem CID 75768333) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
PubChem CID75768333
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)N(C)Cc2ccco2)Oc2ccccc21
InChIInChI=1S/C18H20N2O4/c1-4-20-14-9-5-6-10-15(14)24-18(2,17(20)22)16(21)19(3)12-13-8-7-11-23-13/h5-11H,4,12H2,1-3H3
InChIKeyQYBUTPDEHQYQGY-UHFFFAOYSA-N
XLogP2.44
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-ethyl-2-methyl-3-oxo-N-prop-2-enyl-1,4-benzoxazine-2-carboxamide
CID 75769431
4-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768436
N-[2-(4-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768405
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(furan-2-ylmethyl)-N-methylbutanamide
CID 18109840
4-ethyl-2-methyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,4-benzoxazin-3-one
CID 75768443
4-ethyl-2-methyl-2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,4-benzoxazin-3-one
CID 75768416
N-[2-(benzimidazol-1-yl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzoxazine-2-carboxamide
CID 75768370
(2R)-2-chloro-N-(furan-2-ylmethyl)-N-methylpropanamide
CID 42554709
1-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylcyclobutane-1-carboxamide
CID 80587658
methyl N-(furan-2-ylmethyl)-N-methylcarbamate
CID 2755161
2-(1-aminopropan-2-ylsulfanyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 66219613
2-[furan-2-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8619208

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide (CID 75768333) is 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)N(C)Cc2ccco2)Oc2ccccc21.
What is the InChIKey of 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
The InChIKey is QYBUTPDEHQYQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-20-14-9-5-6-10-15(14)24-18(2,17(20)22)16(21)19(3)12-13-8-7-11-23-13/h5-11H,4,12H2,1-3H3.
What are the key properties of 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide?
4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(furan-2-ylmethyl)-N,2-dimethyl-3-oxo-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 75768333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).