N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide

C15H20N2O3 — CID 47220201

IUPACN-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-17(12-4-5-12)8-7-15(18)16-11-3-6-13-14(9-11)20-10-19-13/h3,6,9,12H,2,4-5,7-8,10H2,1H3,(H,16,18)
InChIKeyNVAREYRTFWFRHC-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.23
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide

N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide (PubChem CID 47220201) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide
PubChem CID47220201
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C15H20N2O3/c1-2-17(12-4-5-12)8-7-15(18)16-11-3-6-13-14(9-11)20-10-19-13/h3,6,9,12H,2,4-5,7-8,10H2,1H3,(H,16,18)
InChIKeyNVAREYRTFWFRHC-UHFFFAOYSA-N
XLogP2.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]propanamide
CID 84568594
2-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-cyclopropylamino]propanoic acid
CID 122100534
N-(1,3-benzodioxol-5-yl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51302967
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878
3-[acetyl(pentyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113123152
N-(1,3-benzodioxol-5-yl)-3-cyclohexylpropanamide
CID 2709597
N-(1,3-benzodioxol-5-yl)-3-(propylcarbamoylamino)propanamide
CID 110370646
2-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119913138
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
N-(1,3-benzodioxol-5-yl)-3-[2-(dimethylamino)ethyl-methylsulfonylamino]propanamide
CID 113138212

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide (CID 47220201) is N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide is CCN(CCC(=O)Nc1ccc2c(c1)OCO2)C1CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide?
The InChIKey is NVAREYRTFWFRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-17(12-4-5-12)8-7-15(18)16-11-3-6-13-14(9-11)20-10-19-13/h3,6,9,12H,2,4-5,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide?
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide is sourced from PubChem (CID 47220201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).