N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C23H23NO5 — CID 55660886

IUPACN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H23NO5/c1-16-22(29-21-10-3-2-9-20(21)28-16)23(25)24-13-17-6-4-7-18(12-17)14-26-15-19-8-5-11-27-19/h2-12,16,22H,13-15H2,1H3,(H,24,25)
InChIKeyODKDEAYATRLPFP-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.84
Rot. Bonds7

About N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 55660886) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID55660886
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC NameN-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCC1Oc2ccccc2OC1C(=O)NCc1cccc(COCc2ccco2)c1
InChIInChI=1S/C23H23NO5/c1-16-22(29-21-10-3-2-9-20(21)28-16)23(25)24-13-17-6-4-7-18(12-17)14-26-15-19-8-5-11-27-19/h2-12,16,22H,13-15H2,1H3,(H,24,25)
InChIKeyODKDEAYATRLPFP-UHFFFAOYSA-N
XLogP3.84
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide with MolForge

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Related Compounds

(2S,3R)-N-[(3-bromophenyl)methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94042033
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-hydroxybenzamide
CID 39180502
2-(2,6-dimethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 46470415
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 55661006
1-(2,2-dimethylpropanoyl)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 55679020
(2S,3R)-2-methyl-N-(3-phenylmethoxypropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51928027
N-[3-[[3-(furan-2-ylmethoxymethyl)phenyl]methylamino]-3-oxopropyl]benzamide
CID 46470414
5-[[[(2R,3S)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 125131790
5-chloro-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-iodobenzamide
CID 46483206
1-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-3-(3-methoxyphenyl)urea
CID 55684243
2-(4-ethylphenoxy)-N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]acetamide
CID 55660922
1-(3-chlorophenyl)-3-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]urea
CID 38280820

Frequently Asked Questions

What is the IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 55660886) is N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CC1Oc2ccccc2OC1C(=O)NCc1cccc(COCc2ccco2)c1.
What is the InChIKey of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is ODKDEAYATRLPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO5/c1-16-22(29-21-10-3-2-9-20(21)28-16)23(25)24-13-17-6-4-7-18(12-17)14-26-15-19-8-5-11-27-19/h2-12,16,22H,13-15H2,1H3,(H,24,25).
What are the key properties of N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 55660886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).