4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide

C13H17N3O3 — CID 115155233

IUPAC4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
SMILESCN(C(=O)CCCN)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H17N3O3/c1-15(12(17)4-3-7-14)9-5-6-10-11(8-9)19-13(18)16(10)2/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyJIOQQLHMWACOSV-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.83
Rot. Bonds4

About 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide

4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide (PubChem CID 115155233) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
PubChem CID115155233
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
SMILESCN(C(=O)CCCN)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C13H17N3O3/c1-15(12(17)4-3-7-14)9-5-6-10-11(8-9)19-13(18)16(10)2/h5-6,8H,3-4,7,14H2,1-2H3
InChIKeyJIOQQLHMWACOSV-UHFFFAOYSA-N
XLogP0.83
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115138921
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamic acid
CID 115170784
methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)carbamothioic S-acid
CID 115169878
6-(4-aminobutanoyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341275
2-chloro-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)acetamide
CID 115161945
6-[3-aminobutyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115199203
6-(4-amino-1-hydroxybutyl)-3-methyl-1,3-benzoxazol-2-one
CID 82341274
6-[methoxymethyl(methyl)amino]-3-methyl-1,3-benzoxazol-2-one
CID 115258422
2-[methyl-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]cyclopropane-1-carboxylic acid
CID 117042610
6-[[aminomethyl(methyl)amino]methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115225940
5-amino-N-(4-hydroxyphenyl)-N-methylpentanamide
CID 107734249
3-methyl-2-oxo-1,3-benzoxazole-6-carbohydrazide
CID 116843326

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide?
The IUPAC name of 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide (CID 115155233) is 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide?
The canonical SMILES for 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide is CN(C(=O)CCCN)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide?
The InChIKey is JIOQQLHMWACOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-15(12(17)4-3-7-14)9-5-6-10-11(8-9)19-13(18)16(10)2/h5-6,8H,3-4,7,14H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide?
4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide has a molecular weight of 263.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide is sourced from PubChem (CID 115155233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).