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

C17H24N2O2 — CID 110278925

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(C)c1nc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-4-6-9-13(5-2)16(20)18-12(3)17-19-14-10-7-8-11-15(14)21-17/h7-8,10-13H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyIDLIBELWYAXUKV-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.22
Rot. Bonds7

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

N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide (PubChem CID 110278925) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide
PubChem CID110278925
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(C)c1nc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-4-6-9-13(5-2)16(20)18-12(3)17-19-14-10-7-8-11-15(14)21-17/h7-8,10-13H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyIDLIBELWYAXUKV-UHFFFAOYSA-N
XLogP4.22
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide (CID 110278925) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide is CCCCC(CC)C(=O)NC(C)c1nc2ccccc2o1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide?
The InChIKey is IDLIBELWYAXUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-6-9-13(5-2)16(20)18-12(3)17-19-14-10-7-8-11-15(14)21-17/h7-8,10-13H,4-6,9H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide has a molecular weight of 288.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide is sourced from PubChem (CID 110278925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).