N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide

C15H14N2O5 — CID 2444322

IUPACN-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O5/c18-14(8-17-15(19)12-2-1-5-20-12)16-7-10-3-4-11-13(6-10)22-9-21-11/h1-6H,7-9H2,(H,16,18)(H,17,19)
InChIKeyVIYOLTJOBZSFIV-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.05
Rot. Bonds5

About N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide

N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 2444322) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide
PubChem CID2444322
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC NameN-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C15H14N2O5/c18-14(8-17-15(19)12-2-1-5-20-12)16-7-10-3-4-11-13(6-10)22-9-21-11/h1-6H,7-9H2,(H,16,18)(H,17,19)
InChIKeyVIYOLTJOBZSFIV-UHFFFAOYSA-N
XLogP1.05
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide 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

5-[(2-methoxy-4-propylphenoxy)methyl]-N-propyl-2-furamide
CID 2166253
[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl](1-benzofuran-2-yl)methanone
CID 2537438
Furan-2-yl-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1148134
(2E)-3-(1,3-benzodioxol-5-yl)-2-cyano-N-(furan-2-ylmethyl)prop-2-enamide
CID 674786
N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 703899
N-(1,3-benzodioxol-5-ylmethyl)-5-bromofuran-2-carboxamide
CID 728785
N-(4-ethoxybenzyl)furan-2-carboxamide
CID 861821
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-furyl)acrylamide
CID 878107
[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-benzamidoacetate
CID 2352010
[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2362163
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2376789
N-(furan-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2970991

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide (CID 2444322) is N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is VIYOLTJOBZSFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c18-14(8-17-15(19)12-2-1-5-20-12)16-7-10-3-4-11-13(6-10)22-9-21-11/h1-6H,7-9H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 302.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 2444322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).