N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C17H25N3O3 — CID 46522148

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)N(CCNC(=O)Cn1c(=O)oc2ccccc21)C(C)C
InChIInChI=1S/C17H25N3O3/c1-12(2)19(13(3)4)10-9-18-16(21)11-20-14-7-5-6-8-15(14)23-17(20)22/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)
InChIKeyPMSOSCUVMCWOEN-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.83
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 46522148) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID46522148
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCC(C)N(CCNC(=O)Cn1c(=O)oc2ccccc21)C(C)C
InChIInChI=1S/C17H25N3O3/c1-12(2)19(13(3)4)10-9-18-16(21)11-20-14-7-5-6-8-15(14)23-17(20)22/h5-8,12-13H,9-11H2,1-4H3,(H,18,21)
InChIKeyPMSOSCUVMCWOEN-UHFFFAOYSA-N
XLogP1.83
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxypentyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 107299698
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949240
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[3-[benzyl(methyl)amino]propyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4244209
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 46522071
2-(2-oxo-1,3-benzoxazol-3-yl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55748229
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
N-[2-(1H-imidazol-2-yl)ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115620138

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 46522148) is N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is CC(C)N(CCNC(=O)Cn1c(=O)oc2ccccc21)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is PMSOSCUVMCWOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(2)19(13(3)4)10-9-18-16(21)11-20-14-7-5-6-8-15(14)23-17(20)22/h5-8,12-13H,9-11H2,1-4H3,(H,18,21).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 319.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 46522148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).