N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide

C14H18N2O2 — CID 110711685

IUPACN-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1nc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)8-12(17)15-9-13-16-10-6-4-5-7-11(10)18-13/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyOGZYUAHZLXPPIJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.88
Rot. Bonds3

About N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide

N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide (PubChem CID 110711685) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
PubChem CID110711685
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCc1nc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)8-12(17)15-9-13-16-10-6-4-5-7-11(10)18-13/h4-7H,8-9H2,1-3H3,(H,15,17)
InChIKeyOGZYUAHZLXPPIJ-UHFFFAOYSA-N
XLogP2.88
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-2-(1H-indol-3-yl)acetamide
CID 110741802
N-(1,3-benzoxazol-2-ylmethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 110741805
N-(1,3-benzoxazol-2-ylmethyl)-4-methoxybenzamide
CID 110711644
N-(1,3-benzoxazol-2-ylmethyl)-2-cyclopent-2-en-1-ylacetamide
CID 91761912
3,3-dimethyl-N-(quinolin-2-ylmethyl)butanamide
CID 110734097
methyl N-(1,3-benzoxazol-2-ylmethyl)carbamodithioate
CID 71371041
1-[4-(1,3-benzoxazol-2-ylmethylamino)phenyl]ethanone
CID 25345215
N-(1,3-benzoxazol-2-ylmethyl)cyclohexanecarboxamide
CID 110711622
N-(1,3-benzoxazol-2-ylmethyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 91792073
1-(1,3-benzoxazol-2-ylmethyl)-3-cyclohexylurea
CID 110747198
3-(1,3-benzoxazol-2-yl)-2-methyl-2-phenylpropanoic acid
CID 43471005
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide (CID 110711685) is N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCc1nc2ccccc2o1.
What is the InChIKey of N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide?
The InChIKey is OGZYUAHZLXPPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)8-12(17)15-9-13-16-10-6-4-5-7-11(10)18-13/h4-7H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide?
N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-ylmethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 110711685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).