3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide

C15H20N2O4 — CID 86822152

IUPAC3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O4/c1-2-6-16-14(18)5-7-17-15(19)9-11-3-4-12-13(8-11)21-10-20-12/h3-4,8H,2,5-7,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyIBZORPHBDPTGEO-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.99
Rot. Bonds7

About 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide

3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide (PubChem CID 86822152) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
PubChem CID86822152
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O4/c1-2-6-16-14(18)5-7-17-15(19)9-11-3-4-12-13(8-11)21-10-20-12/h3-4,8H,2,5-7,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyIBZORPHBDPTGEO-UHFFFAOYSA-N
XLogP0.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
CID 109011504
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
CID 110370595
N-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-oxopropyl]-3-methylbenzamide
CID 18117738
2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 110767389
2-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]acetic acid
CID 82291803
N-(1,3-benzodioxol-5-ylmethyl)-3-(dipropylamino)propanamide
CID 109022613
N-[3-(1,3-benzodioxol-5-ylmethylamino)-3-oxopropyl]-2,5-dimethylfuran-3-carboxamide
CID 3357704
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158021

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide (CID 86822152) is 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide?
The InChIKey is IBZORPHBDPTGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-6-16-14(18)5-7-17-15(19)9-11-3-4-12-13(8-11)21-10-20-12/h3-4,8H,2,5-7,9-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide?
3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide has a molecular weight of 292.33 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1,3-benzodioxol-5-yl)acetyl]amino]-N-propylpropanamide is sourced from PubChem (CID 86822152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).