N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide

C14H18N2O2 — CID 110790910

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCc1ccc2ncoc2c1
InChIInChI=1S/C14H18N2O2/c1-10(2)7-14(17)15-6-5-11-3-4-12-13(8-11)18-9-16-12/h3-4,8-10H,5-7H2,1-2H3,(H,15,17)
InChIKeyAHUATHSTWKFGPE-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.53
Rot. Bonds5

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide (PubChem CID 110790910) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
PubChem CID110790910
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NCCc1ccc2ncoc2c1
InChIInChI=1S/C14H18N2O2/c1-10(2)7-14(17)15-6-5-11-3-4-12-13(8-11)18-9-16-12/h3-4,8-10H,5-7H2,1-2H3,(H,15,17)
InChIKeyAHUATHSTWKFGPE-UHFFFAOYSA-N
XLogP2.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(1,3-benzoxazol-6-yl)ethyl]butanamide
CID 115154356
3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042
4-[2-(1,3-benzoxazol-6-yl)ethylamino]-4-oxobutanoic acid
CID 115163729
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-chlorophenyl)acetamide
CID 110790940
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110796037
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 110796038
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-chlorophenyl)acetamide
CID 110790983
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 110790987
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562
4-(1,3-benzoxazol-6-yl)-2-methylbutanoic acid
CID 116926938
N-[2-(1,3-benzoxazol-6-yl)ethyl]-4-chlorobenzamide
CID 110790949

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide (CID 110790910) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide is CC(C)CC(=O)NCCc1ccc2ncoc2c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide?
The InChIKey is AHUATHSTWKFGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(2)7-14(17)15-6-5-11-3-4-12-13(8-11)18-9-16-12/h3-4,8-10H,5-7H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide has a molecular weight of 246.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 110790910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).