N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C23H28N2O3 — CID 55689930

IUPACN-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC(C)(C)CC(NC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)16-18(17-10-5-4-6-11-17)24-21(26)14-9-15-25-19-12-7-8-13-20(19)28-22(25)27/h4-8,10-13,18H,9,14-16H2,1-3H3,(H,24,26)
InChIKeyVQOQFRFONRNSGH-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.67
Rot. Bonds7

About N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 55689930) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID55689930
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC(C)(C)CC(NC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1
InChIInChI=1S/C23H28N2O3/c1-23(2,3)16-18(17-10-5-4-6-11-17)24-21(26)14-9-15-25-19-12-7-8-13-20(19)28-22(25)27/h4-8,10-13,18H,9,14-16H2,1-3H3,(H,24,26)
InChIKeyVQOQFRFONRNSGH-UHFFFAOYSA-N
XLogP4.67
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9296847
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
3-(2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenyl-2-piperidin-1-ylethyl)propanamide
CID 110244360
N-[1-(4-ethylphenyl)-2-methylpropyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18198629
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18190294
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N-[(1R)-1-phenylethyl]butanamide
CID 32906627
propan-2-yl 3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]propanoate
CID 18204942
N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7689141
4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-(1-phenylethyl)butanamide
CID 51210606

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 55689930) is N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CC(C)(C)CC(NC(=O)CCCn1c(=O)oc2ccccc21)c1ccccc1.
What is the InChIKey of N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is VQOQFRFONRNSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)16-18(17-10-5-4-6-11-17)24-21(26)14-9-15-25-19-12-7-8-13-20(19)28-22(25)27/h4-8,10-13,18H,9,14-16H2,1-3H3,(H,24,26).
What are the key properties of N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 380.49 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 55689930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).