N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide

C19H22N2O4 — CID 126421212

IUPACN-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)o1
InChIInChI=1S/C19H22N2O4/c1-4-13-6-7-14(24-13)8-10-17(22)20-12-5-9-16-15(11-12)21-18(23)19(2,3)25-16/h5-7,9,11H,4,8,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyPQKXNHQRYWGNCV-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.52
Rot. Bonds5

About N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide

N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide (PubChem CID 126421212) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide
PubChem CID126421212
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)o1
InChIInChI=1S/C19H22N2O4/c1-4-13-6-7-14(24-13)8-10-17(22)20-12-5-9-16-15(11-12)21-18(23)19(2,3)25-16/h5-7,9,11H,4,8,10H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyPQKXNHQRYWGNCV-UHFFFAOYSA-N
XLogP3.52
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-5-ethylfuran-2-carboxamide
CID 126421517
3-(5-ethylfuran-2-yl)-N-[3-[3-(5-ethylfuran-2-yl)propanoylamino]phenyl]propanamide
CID 2979888
3-(5-ethylfuran-2-yl)-N-(4-fluorophenyl)propanamide
CID 939193
dimethyl (E)-2-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]but-2-enedioate
CID 168570589
6-(2-aminoethylamino)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 118559373
2-[(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 56730180
3-(4-ethylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 84938811
6-(2,3-dihydroxypropylamino)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 168597522
4-(4-bromophenoxy)-N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 171140772
2-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetic acid
CID 117341832
3-[5-(2-fluorophenyl)furan-2-yl]-N-(3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 51241340
6-(1-aminopropyl)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 82025945

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide?
The IUPAC name of N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide (CID 126421212) is N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide.
What is the SMILES notation for N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide?
The canonical SMILES for N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide is CCc1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)o1.
What is the InChIKey of N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide?
The InChIKey is PQKXNHQRYWGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-13-6-7-14(24-13)8-10-17(22)20-12-5-9-16-15(11-12)21-18(23)19(2,3)25-16/h5-7,9,11H,4,8,10H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide?
N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide has a molecular weight of 342.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(5-ethylfuran-2-yl)propanamide is sourced from PubChem (CID 126421212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).