N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide

C21H19NO5 — CID 35326826

IUPACN-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C21H19NO5/c1-14-4-2-3-5-17(14)24-12-16-7-9-19(27-16)21(23)22-11-15-6-8-18-20(10-15)26-13-25-18/h2-10H,11-13H2,1H3,(H,22,23)
InChIKeyKPDYGHSYBUQXQB-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.83
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (PubChem CID 35326826) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
PubChem CID35326826
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1
InChIInChI=1S/C21H19NO5/c1-14-4-2-3-5-17(14)24-12-16-7-9-19(27-16)21(23)22-11-15-6-8-18-20(10-15)26-13-25-18/h2-10H,11-13H2,1H3,(H,22,23)
InChIKeyKPDYGHSYBUQXQB-UHFFFAOYSA-N
XLogP3.83
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methoxyphenyl)sulfonylmethyl]furan-2-carboxamide
CID 5307755
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2352522
N-(cyclobutylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95756411
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
N-(1,3-benzodioxol-5-ylmethyl)-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325897
N-(1,3-benzodioxol-5-ylmethyl)-4,5-dimethylfuran-2-carboxamide
CID 110697623
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19296501
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26425733
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19290457
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 7841816
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 132760630

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide (CID 35326826) is N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is KPDYGHSYBUQXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-14-4-2-3-5-17(14)24-12-16-7-9-19(27-16)21(23)22-11-15-6-8-18-20(10-15)26-13-25-18/h2-10H,11-13H2,1H3,(H,22,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.83, 6 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)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 35326826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).