4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide

C22H26N2O3 — CID 4653840

IUPAC4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide
SMILESCC(CCc1ccccc1)NC(=O)CCCN1C(=O)COc2ccccc21
InChIInChI=1S/C22H26N2O3/c1-17(13-14-18-8-3-2-4-9-18)23-21(25)12-7-15-24-19-10-5-6-11-20(19)27-16-22(24)26/h2-6,8-11,17H,7,12-16H2,1H3,(H,23,25)
InChIKeyCYBGXWQXQBDLSB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.33
Rot. Bonds8

About 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide

4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide (PubChem CID 4653840) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide
PubChem CID4653840
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide
SMILESCC(CCc1ccccc1)NC(=O)CCCN1C(=O)COc2ccccc21
InChIInChI=1S/C22H26N2O3/c1-17(13-14-18-8-3-2-4-9-18)23-21(25)12-7-15-24-19-10-5-6-11-20(19)27-16-22(24)26/h2-6,8-11,17H,7,12-16H2,1H3,(H,23,25)
InChIKeyCYBGXWQXQBDLSB-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-oxo-1,4-benzoxazin-4-yl)-N-propan-2-ylbutanamide
CID 42787969
N-(3-methylbutyl)-4-(3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 42787992
N-(3-methylbutan-2-yl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46651113
N-[(2S)-1-aminopropan-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide;hydrochloride
CID 120504850
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 6938465
N-[(2S)-6-methylheptan-2-yl]-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 26362101
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 9383275
4-methyl-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]pentanoic acid
CID 82033825
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
3-(3-oxo-1,4-benzoxazin-4-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610830
4-(3-oxo-1,4-benzoxazin-4-yl)butanoate
CID 7442942
N-(1,2-diphenylethyl)-4-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)butanamide
CID 5047623

Frequently Asked Questions

What is the IUPAC name of 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide?
The IUPAC name of 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide (CID 4653840) is 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide.
What is the SMILES notation for 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide?
The canonical SMILES for 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide is CC(CCc1ccccc1)NC(=O)CCCN1C(=O)COc2ccccc21.
What is the InChIKey of 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide?
The InChIKey is CYBGXWQXQBDLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-17(13-14-18-8-3-2-4-9-18)23-21(25)12-7-15-24-19-10-5-6-11-20(19)27-16-22(24)26/h2-6,8-11,17H,7,12-16H2,1H3,(H,23,25).
What are the key properties of 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide?
4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide has a molecular weight of 366.46 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)butanamide is sourced from PubChem (CID 4653840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).