3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide

C20H23NO4 — CID 53288815

IUPAC3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1cccc(CNC(=O)CCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H23NO4/c1-14(2)25-17-5-3-4-16(10-17)12-21-20(22)9-7-15-6-8-18-19(11-15)24-13-23-18/h3-6,8,10-11,14H,7,9,12-13H2,1-2H3,(H,21,22)
InChIKeyQDJKJPYBUDBGRZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.45
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 53288815) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID53288815
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
SMILESCC(C)Oc1cccc(CNC(=O)CCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H23NO4/c1-14(2)25-17-5-3-4-16(10-17)12-21-20(22)9-7-15-6-8-18-19(11-15)24-13-23-18/h3-6,8,10-11,14H,7,9,12-13H2,1-2H3,(H,21,22)
InChIKeyQDJKJPYBUDBGRZ-UHFFFAOYSA-N
XLogP3.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 86925143
3-amino-N-(1,3-benzodioxol-5-ylmethyl)propanamide;hydrochloride
CID 51051992
4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53287843
3-[acetyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 113120764
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
N-(1,3-benzodioxol-5-ylmethyl)-3-pyrrol-1-ylpropanamide
CID 3238528
1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-methoxyphenyl)methyl]thiourea
CID 3589166
3-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 45396767
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]propanamide
CID 51168236
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(3-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108963134
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-sulfamoylphenyl)propanamide
CID 24539703

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide (CID 53288815) is 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide is CC(C)Oc1cccc(CNC(=O)CCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is QDJKJPYBUDBGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14(2)25-17-5-3-4-16(10-17)12-21-20(22)9-7-15-6-8-18-19(11-15)24-13-23-18/h3-6,8,10-11,14H,7,9,12-13H2,1-2H3,(H,21,22).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 341.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 53288815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).