4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide

C22H26N2O3 — CID 110493204

IUPAC4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
SMILESCCCN1C(=O)COc2ccc(NC(=O)CCCc3ccc(C)cc3)cc21
InChIInChI=1S/C22H26N2O3/c1-3-13-24-19-14-18(11-12-20(19)27-15-22(24)26)23-21(25)6-4-5-17-9-7-16(2)8-10-17/h7-12,14H,3-6,13,15H2,1-2H3,(H,23,25)
InChIKeyVBRIGTUGVQFIJV-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.09
Rot. Bonds7

About 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide

4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide (PubChem CID 110493204) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
PubChem CID110493204
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide
SMILESCCCN1C(=O)COc2ccc(NC(=O)CCCc3ccc(C)cc3)cc21
InChIInChI=1S/C22H26N2O3/c1-3-13-24-19-14-18(11-12-20(19)27-15-22(24)26)23-21(25)6-4-5-17-9-7-16(2)8-10-17/h7-12,14H,3-6,13,15H2,1-2H3,(H,23,25)
InChIKeyVBRIGTUGVQFIJV-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)acetamide
CID 110493193
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
3-(7-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-methylphenyl)propanamide
CID 3282711
N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)cyclobutanecarboxamide
CID 110493196
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
N-[4-[3-(2,5-dioxoimidazolidin-1-yl)propanoylamino]phenyl]-4-(4-methylphenyl)butanamide
CID 55963287
4-hexyl-6-methyl-1,4-benzoxazin-3-one
CID 143253505
4-[3-(4-methylphenyl)propyl]-6-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,4-benzoxazin-3-one
CID 139232298
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-5-methyl-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 21009026
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)propanamide
CID 20997450

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide?
The IUPAC name of 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide (CID 110493204) is 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide is CCCN1C(=O)COc2ccc(NC(=O)CCCc3ccc(C)cc3)cc21.
What is the InChIKey of 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide?
The InChIKey is VBRIGTUGVQFIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-13-24-19-14-18(11-12-20(19)27-15-22(24)26)23-21(25)6-4-5-17-9-7-16(2)8-10-17/h7-12,14H,3-6,13,15H2,1-2H3,(H,23,25).
What are the key properties of 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide?
4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide has a molecular weight of 366.46 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)butanamide is sourced from PubChem (CID 110493204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).