N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide

C15H22N2O4 — CID 62015602

IUPACN-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCCO)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O4/c1-11(2)17(6-3-7-18)9-15(19)16-12-4-5-13-14(8-12)21-10-20-13/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H,16,19)
InChIKeyZZWQKMCNDYIRBZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.45
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide

N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (PubChem CID 62015602) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
PubChem CID62015602
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CCCO)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H22N2O4/c1-11(2)17(6-3-7-18)9-15(19)16-12-4-5-13-14(8-12)21-10-20-13/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H,16,19)
InChIKeyZZWQKMCNDYIRBZ-UHFFFAOYSA-N
XLogP1.45
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide 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-(3,4-difluorophenyl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide
CID 62022595
N-(1,3-benzodioxol-5-yl)-2-[2-methylpropyl(methylsulfonyl)amino]acetamide
CID 113148598
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
N-(1,3-benzodioxol-5-yl)-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153343
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113158977
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[1,3-benzodioxol-5-ylcarbamoyl(propan-2-yl)amino]acetic acid
CID 61193838
N-(1,3-benzodioxol-5-yl)-3,3-dimethylbutanamide
CID 803627
2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 2594208
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
CID 2560584
2-[acetyl(tert-butyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113166222

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide (CID 62015602) is N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is CC(C)N(CCCO)CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
The InChIKey is ZZWQKMCNDYIRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(2)17(6-3-7-18)9-15(19)16-12-4-5-13-14(8-12)21-10-20-13/h4-5,8,11,18H,3,6-7,9-10H2,1-2H3,(H,16,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide has a molecular weight of 294.35 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[3-hydroxypropyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 62015602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).