N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C15H20N2O3 — CID 115612682

IUPACN-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCC(CC)CNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-3-11(4-2)9-16-14(18)10-17-12-7-5-6-8-13(12)20-15(17)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeySANYMNHVZZRSLQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.15
Rot. Bonds6

About N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 115612682) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID115612682
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCCC(CC)CNC(=O)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-3-11(4-2)9-16-14(18)10-17-12-7-5-6-8-13(12)20-15(17)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18)
InChIKeySANYMNHVZZRSLQ-UHFFFAOYSA-N
XLogP2.15
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylhexyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 74711303
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46522148
N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90498809
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 71901762
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 122265592
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(propan-2-ylideneamino)acetamide
CID 89398509

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 115612682) is N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CCC(CC)CNC(=O)Cn1c(=O)oc2ccccc21.
What is the InChIKey of N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is SANYMNHVZZRSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-11(4-2)9-16-14(18)10-17-12-7-5-6-8-13(12)20-15(17)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 115612682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).