4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide

C20H20N2O4 — CID 110344950

IUPAC4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)NC(=O)CO2)NCCc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-17(15-6-8-18-16(12-15)22-20(25)13-26-18)7-9-19(24)21-11-10-14-4-2-1-3-5-14/h1-6,8,12H,7,9-11,13H2,(H,21,24)(H,22,25)
InChIKeyWQWKCEUFBONDJV-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.34
Rot. Bonds7

About 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide

4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide (PubChem CID 110344950) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide
PubChem CID110344950
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)NC(=O)CO2)NCCc1ccccc1
InChIInChI=1S/C20H20N2O4/c23-17(15-6-8-18-16(12-15)22-20(25)13-26-18)7-9-19(24)21-11-10-14-4-2-1-3-5-14/h1-6,8,12H,7,9-11,13H2,(H,21,24)(H,22,25)
InChIKeyWQWKCEUFBONDJV-UHFFFAOYSA-N
XLogP2.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344961
3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 22551363
3-(4-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789938
6-(3-bromopropanoyl)-4H-1,4-benzoxazin-3-one
CID 82136356
3-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]propanamide
CID 110789939
2-[[4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoyl]amino]butanoic acid
CID 82033923
methyl 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 15035901
N-cyclopentyl-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344917
N-(3-chlorophenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344996
N-(4-methylphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110344982
6-[(2-phenylethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075286
2-(3-fluorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789945

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide (CID 110344950) is 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide is O=C(CCC(=O)c1ccc2c(c1)NC(=O)CO2)NCCc1ccccc1.
What is the InChIKey of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide?
The InChIKey is WQWKCEUFBONDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-17(15-6-8-18-16(12-15)22-20(25)13-26-18)7-9-19(24)21-11-10-14-4-2-1-3-5-14/h1-6,8,12H,7,9-11,13H2,(H,21,24)(H,22,25).
What are the key properties of 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide?
4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 352.39 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 110344950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).