3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide

C12H16N2O4 — CID 115180466

IUPAC3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide
SMILESCc1cc2c(cc1N(C)C(=O)C(O)CN)OCO2
InChIInChI=1S/C12H16N2O4/c1-7-3-10-11(18-6-17-10)4-8(7)14(2)12(16)9(15)5-13/h3-4,9,15H,5-6,13H2,1-2H3
InChIKeyNUKOXDOJTDFDEX-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.01
Rot. Bonds3

About 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide

3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide (PubChem CID 115180466) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound Name3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide
PubChem CID115180466
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide
SMILESCc1cc2c(cc1N(C)C(=O)C(O)CN)OCO2
InChIInChI=1S/C12H16N2O4/c1-7-3-10-11(18-6-17-10)4-8(7)14(2)12(16)9(15)5-13/h3-4,9,15H,5-6,13H2,1-2H3
InChIKeyNUKOXDOJTDFDEX-UHFFFAOYSA-N
XLogP0.01
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-hydroxy-N-methyl-N-(2-methyl-5-propan-2-ylphenyl)propanamide
CID 115180425
2-N-methyl-2-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 117039946
3-amino-2-hydroxy-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115180595
1-(hydroxymethyl)-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
CID 115182186
4-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115162942
N',2-dimethyl-N'-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 115198438
3-N-methyl-3-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2,3-triamine
CID 115119619
3-amino-N,2-dimethyl-N-[(6-methyl-1,3-benzodioxol-5-yl)methyl]propanamide
CID 115153767
2-(aminomethyl)-1-(6-methyl-1,3-benzodioxol-5-yl)butan-1-one
CID 116923234
3-[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]butanoic acid
CID 117042160
2-[[methyl-(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]butan-1-ol
CID 115250718
1-N-methyl-1-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 115196459

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide (CID 115180466) is 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide is Cc1cc2c(cc1N(C)C(=O)C(O)CN)OCO2.
What is the InChIKey of 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide?
The InChIKey is NUKOXDOJTDFDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-7-3-10-11(18-6-17-10)4-8(7)14(2)12(16)9(15)5-13/h3-4,9,15H,5-6,13H2,1-2H3.
What are the key properties of 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide?
3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide has a molecular weight of 252.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 115180466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).