1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide

C16H16N2O4 — CID 5237325

IUPAC1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)NCc2ccco2)C1C(=O)NCc1ccco1
InChIInChI=1S/C16H16N2O4/c1-10-13(15(19)17-8-11-4-2-6-21-11)14(10)16(20)18-9-12-5-3-7-22-12/h2-7,13-14H,1,8-9H2,(H,17,19)(H,18,20)
InChIKeyLZVGUTPYIFFHQM-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.61
Rot. Bonds6

About 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide

1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide (PubChem CID 5237325) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
PubChem CID5237325
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1C(C(=O)NCc2ccco2)C1C(=O)NCc1ccco1
InChIInChI=1S/C16H16N2O4/c1-10-13(15(19)17-8-11-4-2-6-21-11)14(10)16(20)18-9-12-5-3-7-22-12/h2-7,13-14H,1,8-9H2,(H,17,19)(H,18,20)
InChIKeyLZVGUTPYIFFHQM-UHFFFAOYSA-N
XLogP1.61
TPSA84.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)acetamide
CID 2394850
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
4-(furan-2-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789935
2-amino-N-(furan-2-ylmethyl)cyclohexane-1-carboxamide
CID 64816984
4-N-cyclopropyl-1-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144668
N-(furan-2-ylmethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 557216
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
(1S,2R,6R,8S,9R)-N-(furan-2-ylmethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
CID 46262244
(1S,2R,4S)-N-(furan-2-ylmethyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-2-carboxamide
CID 177430650
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 18134735
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
(1R,2R,3S,4R)-3-(furan-2-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124724780

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide (CID 5237325) is 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide is C=C1C(C(=O)NCc2ccco2)C1C(=O)NCc1ccco1.
What is the InChIKey of 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The InChIKey is LZVGUTPYIFFHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-13(15(19)17-8-11-4-2-6-21-11)14(10)16(20)18-9-12-5-3-7-22-12/h2-7,13-14H,1,8-9H2,(H,17,19)(H,18,20).
What are the key properties of 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide?
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 5237325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).