N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C21H24N2O3 — CID 9296847

IUPACN-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3/c1-3-17(16-12-10-15(2)11-13-16)22-20(24)9-6-14-23-18-7-4-5-8-19(18)26-21(23)25/h4-5,7-8,10-13,17H,3,6,9,14H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyIJHFHGXJRDBFPE-QGZVFWFLSA-N
MW352.43 g/mol
LogP3.95
Rot. Bonds7

About N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 9296847) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
PubChem CID9296847
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
SMILESCC[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(C)cc1
InChIInChI=1S/C21H24N2O3/c1-3-17(16-12-10-15(2)11-13-16)22-20(24)9-6-14-23-18-7-4-5-8-19(18)26-21(23)25/h4-5,7-8,10-13,17H,3,6,9,14H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyIJHFHGXJRDBFPE-QGZVFWFLSA-N
XLogP3.95
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethyl-1-phenylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55689930
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9410020
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-[1-(2-methoxy-5-methylphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 18159649
N-[1-(4-methylphenyl)propyl]-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanamide
CID 132661233
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55747220
4-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 7974357
N-heptan-2-yl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197900
N-[(1R)-1-(1-adamantyl)ethyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7689141
N'-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)-N'-phenylbutanehydrazide
CID 18121118
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 9296847) is N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CC[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
The InChIKey is IJHFHGXJRDBFPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-17(16-12-10-15(2)11-13-16)22-20(24)9-6-14-23-18-7-4-5-8-19(18)26-21(23)25/h4-5,7-8,10-13,17H,3,6,9,14H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?
N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 352.43 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 9296847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).