N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide

C13H17N3O2 — CID 115152114

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CCc1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O2/c1-14-8-13(17)16(2)6-5-10-3-4-11-12(7-10)18-9-15-11/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyAXDYZICBUITDOW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.05
Rot. Bonds5

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 115152114) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
PubChem CID115152114
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)CCc1ccc2ncoc2c1
InChIInChI=1S/C13H17N3O2/c1-14-8-13(17)16(2)6-5-10-3-4-11-12(7-10)18-9-15-11/h3-4,7,9,14H,5-6,8H2,1-2H3
InChIKeyAXDYZICBUITDOW-UHFFFAOYSA-N
XLogP1.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-cyano-N-methylformamide
CID 115172688
N-(1,3-benzoxazol-6-ylmethyl)-N-methyl-3-(methylamino)propanamide
CID 115153296
[2-(1,3-benzoxazol-6-yl)ethyl-methylamino]methanol
CID 115229523
1-(1,3-benzoxazol-6-ylmethyl)-1,3-dimethylurea
CID 115169274
3-(1,3-benzoxazol-6-yl)-N-methylpropanehydrazide
CID 116845001
1-[2-(1,3-benzoxazol-6-yl)ethyl]-3-methylurea
CID 115169389
N-methyl-2-(methylamino)-N-[2-(2-oxo-3H-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115152122
4-(1,3-benzoxazol-6-yl)-2-methylbutanoic acid
CID 116926938
N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
methyl 2-[1,3-benzoxazol-6-ylmethyl(methyl)amino]-2-oxoacetate
CID 115142491
N-[2-(1,3-benzoxazol-6-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110796037
3-amino-N-(1,3-benzoxazol-6-ylmethyl)-N-methylbutanamide
CID 115154285

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide (CID 115152114) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)CCc1ccc2ncoc2c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is AXDYZICBUITDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-14-8-13(17)16(2)6-5-10-3-4-11-12(7-10)18-9-15-11/h3-4,7,9,14H,5-6,8H2,1-2H3.
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 115152114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).