N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide

C18H19NO6 — CID 3834994

IUPACN-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc3c(cc2C(C)O)OCO3)c1
InChIInChI=1S/C18H19NO6/c1-10(20)14-7-16-17(25-9-24-16)8-15(14)19-18(21)11-4-12(22-2)6-13(5-11)23-3/h4-8,10,20H,9H2,1-3H3,(H,19,21)
InChIKeyXIWVIPNFNJPAAB-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.74
Rot. Bonds5

About N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide

N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide (PubChem CID 3834994) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide
PubChem CID3834994
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC NameN-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cc3c(cc2C(C)O)OCO3)c1
InChIInChI=1S/C18H19NO6/c1-10(20)14-7-16-17(25-9-24-16)8-15(14)19-18(21)11-4-12(22-2)6-13(5-11)23-3/h4-8,10,20H,9H2,1-3H3,(H,19,21)
InChIKeyXIWVIPNFNJPAAB-UHFFFAOYSA-N
XLogP2.74
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-N-[7-(2-methylpropanoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 5304575
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 27648551
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40959645
N-[3-(1,3-benzodioxol-5-yl)propyl]-3,5-dimethoxybenzamide
CID 110371217
N-[2-(1-chloroethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 114304788
4-chloro-N-[7-(1-hydroxy-2-methylpropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
CID 17018295
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
N-[2-(1,3-benzodioxol-5-yl)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 90497723
N-(2-chlorophenyl)-3,5-dimethoxybenzamide
CID 835443
N-(4-iodo-2,5-dimethylphenyl)-3,5-dimethoxybenzamide
CID 2206635
methyl 2-(6-bromo-1,3-benzodioxol-5-yl)propanoate
CID 105426519

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide (CID 3834994) is N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cc3c(cc2C(C)O)OCO3)c1.
What is the InChIKey of N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide?
The InChIKey is XIWVIPNFNJPAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-10(20)14-7-16-17(25-9-24-16)8-15(14)19-18(21)11-4-12(22-2)6-13(5-11)23-3/h4-8,10,20H,9H2,1-3H3,(H,19,21).
What are the key properties of N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide?
N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide has a molecular weight of 345.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-hydroxyethyl)-1,3-benzodioxol-5-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 3834994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).