N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide

C19H15NO5 — CID 25398439

IUPACN-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1occc1COc1ccccc1
InChIInChI=1S/C19H15NO5/c21-19(20-14-6-7-16-17(10-14)25-12-24-16)18-13(8-9-22-18)11-23-15-4-2-1-3-5-15/h1-10H,11-12H2,(H,20,21)
InChIKeyKMENJANFGFCCMQ-UHFFFAOYSA-N
MW337.33 g/mol
LogP3.84
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide

N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 25398439) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID25398439
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1occc1COc1ccccc1
InChIInChI=1S/C19H15NO5/c21-19(20-14-6-7-16-17(10-14)25-12-24-16)18-13(8-9-22-18)11-23-15-4-2-1-3-5-15/h1-10H,11-12H2,(H,20,21)
InChIKeyKMENJANFGFCCMQ-UHFFFAOYSA-N
XLogP3.84
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 43061970
N-[3-(cyclopropanecarbonylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 30804525
N-[4-(cyclopentylmethylamino)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56533885
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 51314093
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55564411
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55856148
3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 29370752
N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17457516

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide (CID 25398439) is N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1occc1COc1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is KMENJANFGFCCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-19(20-14-6-7-16-17(10-14)25-12-24-16)18-13(8-9-22-18)11-23-15-4-2-1-3-5-15/h1-10H,11-12H2,(H,20,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 3.84, 5 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-yl)-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 25398439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).