N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide

C19H15NO5 — CID 16762169

IUPACN-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H15NO5/c1-12-16(8-9-22-12)19(21)20-13-2-4-14(5-3-13)25-15-6-7-17-18(10-15)24-11-23-17/h2-10H,11H2,1H3,(H,20,21)
InChIKeyRGZKGNTYEYLNBM-UHFFFAOYSA-N
MW337.33 g/mol
LogP4.36
Rot. Bonds4

About N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide

N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide (PubChem CID 16762169) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide
PubChem CID16762169
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC NameN-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H15NO5/c1-12-16(8-9-22-12)19(21)20-13-2-4-14(5-3-13)25-15-6-7-17-18(10-15)24-11-23-17/h2-10H,11H2,1H3,(H,20,21)
InChIKeyRGZKGNTYEYLNBM-UHFFFAOYSA-N
XLogP4.36
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 16763731
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]furan-3-carboxamide
CID 46421851
N'-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-2-methylfuran-3-carbohydrazide
CID 9472746
4-(1,3-benzodioxol-5-yloxymethyl)-N-(4-methylphenyl)thiophene-2-carboxamide
CID 19484399
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917
N-(1,3-benzodioxol-5-yl)-2-hydroxy-5-methylbenzamide
CID 16573543
1-[4-(1,3-benzodioxol-5-yloxy)phenyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea
CID 11510714
N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-5-propylpyrazolidine-3-carboxamide
CID 75261445
1-(1,3-benzodioxol-5-yl)-3-[4-[[2-[hydroxy(methylamino)methyl]-4-pyridinyl]oxy]phenyl]urea
CID 166653931
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165
N-(1,3-benzodioxol-5-yl)-6-methoxy-2-oxochromene-3-carboxamide
CID 19207094

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide (CID 16762169) is N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is RGZKGNTYEYLNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c1-12-16(8-9-22-12)19(21)20-13-2-4-14(5-3-13)25-15-6-7-17-18(10-15)24-11-23-17/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide?
N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzodioxol-5-yloxy)phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 16762169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).