2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide

C16H24N2O4 — CID 170290709

IUPAC2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide
SMILESCOc1cc2c(cc1CC(C)NC(=O)C(N)C(C)C)OCO2
InChIInChI=1S/C16H24N2O4/c1-9(2)15(17)16(19)18-10(3)5-11-6-13-14(22-8-21-13)7-12(11)20-4/h6-7,9-10,15H,5,8,17H2,1-4H3,(H,18,19)
InChIKeyWLEKTRKJONJJPM-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.45
Rot. Bonds6

About 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide

2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide (PubChem CID 170290709) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide
PubChem CID170290709
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide
SMILESCOc1cc2c(cc1CC(C)NC(=O)C(N)C(C)C)OCO2
InChIInChI=1S/C16H24N2O4/c1-9(2)15(17)16(19)18-10(3)5-11-6-13-14(22-8-21-13)7-12(11)20-4/h6-7,9-10,15H,5,8,17H2,1-4H3,(H,18,19)
InChIKeyWLEKTRKJONJJPM-UHFFFAOYSA-N
XLogP1.45
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide?
The IUPAC name of 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide (CID 170290709) is 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide?
The canonical SMILES for 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide is COc1cc2c(cc1CC(C)NC(=O)C(N)C(C)C)OCO2.
What is the InChIKey of 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide?
The InChIKey is WLEKTRKJONJJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-9(2)15(17)16(19)18-10(3)5-11-6-13-14(22-8-21-13)7-12(11)20-4/h6-7,9-10,15H,5,8,17H2,1-4H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide?
2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide has a molecular weight of 308.38 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(6-methoxy-1,3-benzodioxol-5-yl)propan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 170290709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).