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

C15H20N2O2 — CID 110278975

IUPACN-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)c1nc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c1-5-15(3,4)14(18)16-10(2)13-17-11-8-6-7-9-12(11)19-13/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyWNYACFKXCQFLER-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.44
Rot. Bonds4

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

N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide (PubChem CID 110278975) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
PubChem CID110278975
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)c1nc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c1-5-15(3,4)14(18)16-10(2)13-17-11-8-6-7-9-12(11)19-13/h6-10H,5H2,1-4H3,(H,16,18)
InChIKeyWNYACFKXCQFLER-UHFFFAOYSA-N
XLogP3.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-ethylhexanamide
CID 110278925
N-[1-(1,3-benzoxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110278958
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 110278979
N-[1-(1,3-benzoxazol-2-yl)ethyl]cyclohexanecarboxamide
CID 110278943
N-[1-(1,3-benzoxazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110278882
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 110278714
N-[2-[1-(1,3-benzoxazol-2-yl)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 110278870
N-[1-(1,3-benzoxazol-2-yl)ethyl]-1-propylpyrazole-3-carboxamide
CID 110278744
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 110278820
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 110278694
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2H-chromene-3-carboxamide
CID 110278878
N-[1-(1,3-benzoxazol-2-yl)ethyl]-4-phenylmethoxybenzamide
CID 110278892

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide?
The IUPAC name of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide (CID 110278975) is N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide is CCC(C)(C)C(=O)NC(C)c1nc2ccccc2o1.
What is the InChIKey of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide?
The InChIKey is WNYACFKXCQFLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-15(3,4)14(18)16-10(2)13-17-11-8-6-7-9-12(11)19-13/h6-10H,5H2,1-4H3,(H,16,18).
What are the key properties of N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide?
N-[1-(1,3-benzoxazol-2-yl)ethyl]-2,2-dimethylbutanamide has a molecular weight of 260.34 g/mol, XLogP of 3.44, 4 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]-2,2-dimethylbutanamide is sourced from PubChem (CID 110278975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).