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

C14H12N2O5 — CID 110866090

IUPACN-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)NC(=O)c1ccco1
InChIInChI=1S/C14H12N2O5/c17-13(11-2-1-5-19-11)16-14(18)15-7-9-3-4-10-12(6-9)21-8-20-10/h1-6H,7-8H2,(H2,15,16,17,18)
InChIKeyLZZXJMJUOBAVFQ-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.65
Rot. Bonds3

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

N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide (PubChem CID 110866090) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide
PubChem CID110866090
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC NameN-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)NC(=O)c1ccco1
InChIInChI=1S/C14H12N2O5/c17-13(11-2-1-5-19-11)16-14(18)15-7-9-3-4-10-12(6-9)21-8-20-10/h1-6H,7-8H2,(H2,15,16,17,18)
InChIKeyLZZXJMJUOBAVFQ-UHFFFAOYSA-N
XLogP1.65
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
N-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]furan-2-carboxamide
CID 112982779
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 17463093
1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 91625580
N-(1,3-benzodioxol-5-ylmethyl)-3-(furan-2-ylmethylamino)propanamide
CID 109018590
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155289
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-methyl-1-oxobutan-2-yl] furan-2-carboxylate
CID 1470008
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(furan-2-yl)ethylideneamino]thiourea
CID 9213380
3-(1,3-benzodioxol-5-ylmethyl)-1-cyclopropyl-1-(furan-2-ylmethyl)urea
CID 38213350
1-amino-N-(1,3-benzodioxol-5-ylmethyl)cyclohexane-1-carboxamide
CID 39058403

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide (CID 110866090) is N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide is O=C(NCc1ccc2c(c1)OCO2)NC(=O)c1ccco1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide?
The InChIKey is LZZXJMJUOBAVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c17-13(11-2-1-5-19-11)16-14(18)15-7-9-3-4-10-12(6-9)21-8-20-10/h1-6H,7-8H2,(H2,15,16,17,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide is sourced from PubChem (CID 110866090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).