N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide

C13H18N2O3 — CID 2560584

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H18N2O3/c1-9(2)6-14-7-13(16)15-10-3-4-11-12(5-10)18-8-17-11/h3-5,9,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyZDOPSSCOWHVEKQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.60
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide (PubChem CID 2560584) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
PubChem CID2560584
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide
SMILESCC(C)CNCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C13H18N2O3/c1-9(2)6-14-7-13(16)15-10-3-4-11-12(5-10)18-8-17-11/h3-5,9,14H,6-8H2,1-2H3,(H,15,16)
InChIKeyZDOPSSCOWHVEKQ-UHFFFAOYSA-N
XLogP1.60
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)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-(1,3-benzodioxol-5-yl)-2-(2-methylpropylcarbamoylamino)acetamide
CID 110606306
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)acetamide
CID 43389718
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994545
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yloxyanilino)acetamide
CID 109009383
N-(1,3-benzodioxol-5-yl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999711
2-(2-methylpropylamino)-N-[7-[[2-(2-methylpropylamino)acetyl]amino]-9,10-dioxoanthracen-2-yl]acetamide
CID 44568765
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113158977
3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-2-hydroxypropanamide
CID 106174868
N-(1,3-benzodioxol-5-yl)-2-[[(1S)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8918206
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 8771944

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide (CID 2560584) is N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide is CC(C)CNCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide?
The InChIKey is ZDOPSSCOWHVEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)6-14-7-13(16)15-10-3-4-11-12(5-10)18-8-17-11/h3-5,9,14H,6-8H2,1-2H3,(H,15,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide has a molecular weight of 250.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-methylpropylamino)acetamide is sourced from PubChem (CID 2560584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).