N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide

C15H20N2O4 — CID 110370595

IUPACN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
SMILESCCCCC(=O)NCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O4/c1-2-3-4-14(18)16-8-7-15(19)17-11-5-6-12-13(9-11)21-10-20-12/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyCUOQDOYIWAQLSX-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.05
Rot. Bonds7

About N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide

N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide (PubChem CID 110370595) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
PubChem CID110370595
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide
SMILESCCCCC(=O)NCCC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O4/c1-2-3-4-14(18)16-8-7-15(19)17-11-5-6-12-13(9-11)21-10-20-12/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)(H,17,19)
InChIKeyCUOQDOYIWAQLSX-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
N-(1,3-benzodioxol-5-yl)-3-(pentylamino)propanamide
CID 109032303
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-(4-methoxyphenyl)propanamide
CID 110370645
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(pentylamino)propanamide
CID 109032304
1-(1,3-benzodioxol-5-yl)-3-(dodecanoylamino)urea
CID 17268294
3-[acetyl(pentyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113123152

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide?
The IUPAC name of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide (CID 110370595) is N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide is CCCCC(=O)NCCC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide?
The InChIKey is CUOQDOYIWAQLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-3-4-14(18)16-8-7-15(19)17-11-5-6-12-13(9-11)21-10-20-12/h5-6,9H,2-4,7-8,10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide?
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide has a molecular weight of 292.33 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 110370595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).