N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide

C15H22N2O3 — CID 62838808

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C15H22N2O3/c1-5-16-10(2)8-14(18)17-11-6-7-12-13(9-11)20-15(3,4)19-12/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,18)
InChIKeyXPVVLASPBASPMY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.52
Rot. Bonds5

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide (PubChem CID 62838808) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide
PubChem CID62838808
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C15H22N2O3/c1-5-16-10(2)8-14(18)17-11-6-7-12-13(9-11)20-15(3,4)19-12/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,18)
InChIKeyXPVVLASPBASPMY-UHFFFAOYSA-N
XLogP2.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide 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

N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1,1-diethylurea
CID 47223959
2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 43700348
N-(3-chloro-4-methylphenyl)-3-(ethylamino)butanamide
CID 60663237
3-(ethylamino)-N-quinoxalin-6-ylbutanamide
CID 62839375
N-(3-bromophenyl)-3-(ethylamino)butanamide
CID 62838058
3-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)butanamide;hydrochloride
CID 119693705
(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide
CID 61155842
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655770
N-(3,5-dichlorophenyl)-3-(ethylamino)butanamide
CID 62839661
4-[3-(ethylamino)butanoylamino]-N-methylbenzamide
CID 62837204
3-(ethylamino)-N-(4-propan-2-yloxyphenyl)butanamide
CID 62838247

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide (CID 62838808) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)Nc1ccc2c(c1)OC(C)(C)O2.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide?
The InChIKey is XPVVLASPBASPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-16-10(2)8-14(18)17-11-6-7-12-13(9-11)20-15(3,4)19-12/h6-7,9-10,16H,5,8H2,1-4H3,(H,17,18).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide has a molecular weight of 278.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-(ethylamino)butanamide is sourced from PubChem (CID 62838808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).