N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide

C19H16N2O4 — CID 112981821

IUPACN-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCc2ccco2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O4/c22-19(13-3-8-17-18(10-13)25-12-24-17)21-15-6-4-14(5-7-15)20-11-16-2-1-9-23-16/h1-10,20H,11-12H2,(H,21,22)
InChIKeyGYRSGTXVGSVMRW-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.87
Rot. Bonds5

About N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide

N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 112981821) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID112981821
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(NCc2ccco2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H16N2O4/c22-19(13-3-8-17-18(10-13)25-12-24-17)21-15-6-4-14(5-7-15)20-11-16-2-1-9-23-16/h1-10,20H,11-12H2,(H,21,22)
InChIKeyGYRSGTXVGSVMRW-UHFFFAOYSA-N
XLogP3.87
TPSA72.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113040678
N-[4-[(2-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982029
N-[4-(furan-2-ylmethylamino)phenyl]benzamide
CID 112981782
N-[4-(2-oxopropylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 22299162
N-[4-[(4-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982174
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
CID 112982779
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553
N-[4-[(1,3-benzodioxole-5-carbonylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 9273872
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109231602
2-(1,3-benzodioxol-5-yl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 94282177
2-(1,3-benzodioxole-5-carbonylamino)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46113981
2-(1,3-benzodioxol-5-ylamino)-N-(furan-2-ylmethyl)acetamide
CID 108996348

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide (CID 112981821) is N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(NCc2ccco2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GYRSGTXVGSVMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c22-19(13-3-8-17-18(10-13)25-12-24-17)21-15-6-4-14(5-7-15)20-11-16-2-1-9-23-16/h1-10,20H,11-12H2,(H,21,22).
What are the key properties of N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylamino)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 112981821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).