N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide

C17H23N3O2 — CID 135099106

IUPACN-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C)Cc2ccon2)cc1
InChIInChI=1S/C17H23N3O2/c1-4-13(2)14-5-7-15(8-6-14)18-17(21)12-20(3)11-16-9-10-22-19-16/h5-10,13H,4,11-12H2,1-3H3,(H,18,21)
InChIKeyAZKXONAXTFPWOH-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.26
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide

N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide (PubChem CID 135099106) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
PubChem CID135099106
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
SMILESCCC(C)c1ccc(NC(=O)CN(C)Cc2ccon2)cc1
InChIInChI=1S/C17H23N3O2/c1-4-13(2)14-5-7-15(8-6-14)18-17(21)12-20(3)11-16-9-10-22-19-16/h5-10,13H,4,11-12H2,1-3H3,(H,18,21)
InChIKeyAZKXONAXTFPWOH-UHFFFAOYSA-N
XLogP3.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
2-[[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9052723
N-[4-[(2S)-butan-2-yl]phenyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9339207
N-(4-butan-2-ylphenyl)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42913792
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide
CID 135087601
N-(4-butan-2-ylphenyl)-2-[cyclopropyl(propan-2-yl)amino]acetamide
CID 112818363
2-[[3-[(1S)-1-ethylsulfanylethyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 97058788
2-[butyl(methyl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 55353682
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
CID 8717484

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide (CID 135099106) is N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide is CCC(C)c1ccc(NC(=O)CN(C)Cc2ccon2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide?
The InChIKey is AZKXONAXTFPWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-13(2)14-5-7-15(8-6-14)18-17(21)12-20(3)11-16-9-10-22-19-16/h5-10,13H,4,11-12H2,1-3H3,(H,18,21).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide?
N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide has a molecular weight of 301.39 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[methyl(1,2-oxazol-3-ylmethyl)amino]acetamide is sourced from PubChem (CID 135099106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).