2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide

C14H19N3O4 — CID 61259759

IUPAC2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide
SMILESCN(CC1COc2ccccc2O1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C14H19N3O4/c1-17(14(19)10(15)6-13(16)18)7-9-8-20-11-4-2-3-5-12(11)21-9/h2-5,9-10H,6-8,15H2,1H3,(H2,16,18)
InChIKeyNCMHANHDKBZRSQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.51
Rot. Bonds5

About 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide

2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide (PubChem CID 61259759) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide
PubChem CID61259759
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide
SMILESCN(CC1COc2ccccc2O1)C(=O)C(N)CC(N)=O
InChIInChI=1S/C14H19N3O4/c1-17(14(19)10(15)6-13(16)18)7-9-8-20-11-4-2-3-5-12(11)21-9/h2-5,9-10H,6-8,15H2,1H3,(H2,16,18)
InChIKeyNCMHANHDKBZRSQ-UHFFFAOYSA-N
XLogP-0.51
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide with MolForge

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

Launch Full Analysis

Related Compounds

2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanamide
CID 61258863
(2S)-2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethylbutanamide
CID 61259944
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)butanediamide;hydrochloride
CID 119955876
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2-dimethylpropanamide
CID 62727367
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-2-methylsulfonylpropanamide
CID 51080559
4-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-methoxy-N-methylbutanamide;hydrochloride
CID 120586924
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,2,2-trimethylpropanamide
CID 81489682
3-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N,3-dimethylbutanamide
CID 64679217
(2S)-2-amino-N-cyclopropyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 96554779
4-[4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)carbamoyl]phenoxy]benzamide
CID 56545178
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-hydroxy-N-methylbenzamide
CID 43009601
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethylpropanamide;hydrochloride
CID 119267933

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide (CID 61259759) is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide is CN(CC1COc2ccccc2O1)C(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide?
The InChIKey is NCMHANHDKBZRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-17(14(19)10(15)6-13(16)18)7-9-8-20-11-4-2-3-5-12(11)21-9/h2-5,9-10H,6-8,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide?
2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide has a molecular weight of 293.32 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutanediamide is sourced from PubChem (CID 61259759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).