2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide

C18H23N3O4 — CID 135102133

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
SMILESCC(C)Cn1cncc1CNC(=O)C(C)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C18H23N3O4/c1-12(2)9-21-10-19-7-14(21)8-20-18(22)13(3)25-15-4-5-16-17(6-15)24-11-23-16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyGRWFXDGMCIFTAW-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.35
Rot. Bonds7

About 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide

2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide (PubChem CID 135102133) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
PubChem CID135102133
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide
SMILESCC(C)Cn1cncc1CNC(=O)C(C)Oc1ccc2c(c1)OCO2
InChIInChI=1S/C18H23N3O4/c1-12(2)9-21-10-19-7-14(21)8-20-18(22)13(3)25-15-4-5-16-17(6-15)24-11-23-16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,20,22)
InChIKeyGRWFXDGMCIFTAW-UHFFFAOYSA-N
XLogP2.35
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(1,3-benzodioxol-5-yloxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2126779
5-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 118791795
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propanoylphenoxy)propanamide
CID 8604764
2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
CID 122246687
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-tert-butylphenoxy)propanamide
CID 4615514
(2R)-2-(1,3-benzodioxol-5-yloxy)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]propanamide
CID 100757652
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
(2S)-2-(1,3-benzodioxol-5-yloxy)-N-[(2S)-3-methyl-1-(triazol-2-yl)butan-2-yl]propanamide
CID 124725225
2-(1,3-benzodioxol-5-yloxy)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]propanamide
CID 91791914
methyl 2-(1,3-benzodioxol-5-yloxy)propanoate
CID 4507465
(3S)-3-(1,3-benzodioxol-5-yloxy)butan-2-one
CID 6934005
2-(1,3-benzodioxol-5-yloxy)-N,N-diethylpropanamide
CID 45147826

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide (CID 135102133) is 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide is CC(C)Cn1cncc1CNC(=O)C(C)Oc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide?
The InChIKey is GRWFXDGMCIFTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12(2)9-21-10-19-7-14(21)8-20-18(22)13(3)25-15-4-5-16-17(6-15)24-11-23-16/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide?
2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]propanamide is sourced from PubChem (CID 135102133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).