N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide

C18H19NO5 — CID 2081460

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-21-14-4-2-3-5-15(14)22-9-8-18(20)19-11-13-6-7-16-17(10-13)24-12-23-16/h2-7,10H,8-9,11-12H2,1H3,(H,19,20)
InChIKeySYHUVTCNXWPHDK-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.51
Rot. Bonds7

About N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide

N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide (PubChem CID 2081460) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide
PubChem CID2081460
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19NO5/c1-21-14-4-2-3-5-15(14)22-9-8-18(20)19-11-13-6-7-16-17(10-13)24-12-23-16/h2-7,10H,8-9,11-12H2,1H3,(H,19,20)
InChIKeySYHUVTCNXWPHDK-UHFFFAOYSA-N
XLogP2.51
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 38210421
N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(2-methoxyphenoxy)acetyl]amino]acetamide
CID 112992842
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-methoxyphenyl)propanediamide
CID 108947229
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2-methoxyethoxy)anilino]acetamide
CID 52758367
N-(1,3-benzodioxol-5-ylmethyl)-4-(2-nitrophenoxy)butanamide
CID 84552456
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26425733
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2431122
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109022589
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4,5-trimethoxyanilino)propanamide
CID 109022696
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
3-(1,3-benzodioxol-5-ylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028209

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide (CID 2081460) is N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide is COc1ccccc1OCCC(=O)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide?
The InChIKey is SYHUVTCNXWPHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-21-14-4-2-3-5-15(14)22-9-8-18(20)19-11-13-6-7-16-17(10-13)24-12-23-16/h2-7,10H,8-9,11-12H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide?
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide has a molecular weight of 329.35 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 2081460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).