N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide

C14H20N2O3 — CID 109011504

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
SMILESCCCNCCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-2-6-15-7-5-14(17)16-9-11-3-4-12-13(8-11)19-10-18-12/h3-4,8,15H,2,5-7,9-10H2,1H3,(H,16,17)
InChIKeyOJUUIOGHQIZMJA-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.42
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide (PubChem CID 109011504) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
PubChem CID109011504
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
SMILESCCCNCCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C14H20N2O3/c1-2-6-15-7-5-14(17)16-9-11-3-4-12-13(8-11)19-10-18-12/h3-4,8,15H,2,5-7,9-10H2,1H3,(H,16,17)
InChIKeyOJUUIOGHQIZMJA-UHFFFAOYSA-N
XLogP1.42
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide 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

1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
CID 86822152
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109022582
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-fluorophenyl)methylamino]propanamide
CID 109021165
N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
CID 109022613
N-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109022575
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109022589
N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018590
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
N-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybutanamide
CID 2810954
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1H-indol-3-yl)ethylamino]propanamide
CID 109022588
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-ethoxyanilino)propanamide
CID 109022658

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide (CID 109011504) is N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide is CCCNCCC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide?
The InChIKey is OJUUIOGHQIZMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-6-15-7-5-14(17)16-9-11-3-4-12-13(8-11)19-10-18-12/h3-4,8,15H,2,5-7,9-10H2,1H3,(H,16,17).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide has a molecular weight of 264.32 g/mol, XLogP of 1.42, 7 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-ylmethyl)-3-(propylamino)propanamide is sourced from PubChem (CID 109011504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).