N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride

C16H24ClN3O4 — CID 119618173

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)Nc1cc2c(cc1N)OCO2.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-3-19(4-2)16(21)7-5-6-15(20)18-12-9-14-13(8-11(12)17)22-10-23-14;/h8-9H,3-7,10,17H2,1-2H3,(H,18,20);1H
InChIKeyYCBUOVYMBZDRKF-UHFFFAOYSA-N
MW357.84 g/mol
LogP2.40
Rot. Bonds7

About N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride (PubChem CID 119618173) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride
PubChem CID119618173
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride
SMILESCCN(CC)C(=O)CCCC(=O)Nc1cc2c(cc1N)OCO2.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-3-19(4-2)16(21)7-5-6-15(20)18-12-9-14-13(8-11(12)17)22-10-23-14;/h8-9H,3-7,10,17H2,1-2H3,(H,18,20);1H
InChIKeyYCBUOVYMBZDRKF-UHFFFAOYSA-N
XLogP2.40
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride 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-(6-amino-1,3-benzodioxol-5-yl)-N',N'-dipropylpentanediamide;hydrochloride
CID 119619071
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-dipropylpentanediamide
CID 119619072
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)octanamide
CID 43548138
N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
CID 119618394
N-[4-[(6-amino-1,3-benzodioxol-5-yl)amino]-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119618559
N-(6-amino-1,3-benzodioxol-5-yl)-4-(4-methoxyphenyl)butanamide
CID 119617986
N-(6-amino-1,3-benzodioxol-5-yl)-4-[4-(2-methoxyethyl)phenoxy]butanamide;hydrochloride
CID 119618195
3-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-1-methylurea
CID 79160086
N-(6-amino-1,3-benzodioxol-5-yl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 119618427
4-(4-acetylphenoxy)-N-(6-amino-1,3-benzodioxol-5-yl)butanamide
CID 119618095
N-(6-amino-1,3-benzodioxol-5-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 119618979
N-(6-amino-1,3-benzodioxol-5-yl)-2-propylsulfanylacetamide
CID 119618391

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride (CID 119618173) is N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride is CCN(CC)C(=O)CCCC(=O)Nc1cc2c(cc1N)OCO2.Cl.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride?
The InChIKey is YCBUOVYMBZDRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-3-19(4-2)16(21)7-5-6-15(20)18-12-9-14-13(8-11(12)17)22-10-23-14;/h8-9H,3-7,10,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-N',N'-diethylpentanediamide;hydrochloride is sourced from PubChem (CID 119618173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).