4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid

C14H22N2O4 — CID 62274669

IUPAC4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)Cc1cc(C(=O)O)oc1C
InChIInChI=1S/C14H22N2O4/c1-5-6-16(9-13(17)15(3)4)8-11-7-12(14(18)19)20-10(11)2/h7H,5-6,8-9H2,1-4H3,(H,18,19)
InChIKeyWANWCQNXVWXPGN-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.59
Rot. Bonds7

About 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid

4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid (PubChem CID 62274669) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid
PubChem CID62274669
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid
SMILESCCCN(CC(=O)N(C)C)Cc1cc(C(=O)O)oc1C
InChIInChI=1S/C14H22N2O4/c1-5-6-16(9-13(17)15(3)4)8-11-7-12(14(18)19)20-10(11)2/h7H,5-6,8-9H2,1-4H3,(H,18,19)
InChIKeyWANWCQNXVWXPGN-UHFFFAOYSA-N
XLogP1.59
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid 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

4-[(dipropylamino)methyl]-5-methylfuran-2-carbonyl chloride
CID 39260612
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274684
4-[[benzyl(2-hydroxyethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274854
3-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-4-fluorobenzoic acid
CID 107452233
4-[[2-cyanopropyl(ethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 62274674
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 107480838
4-[(2,2-dimethylhydrazinyl)methyl]-5-methylfuran-2-carboxylic acid
CID 103260997
4-[[2,2-dimethylpropyl(methyl)amino]methyl]-5-methylfuran-2-carboxylic acid
CID 55054343
5-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 54990080
4-[(dibutylamino)methyl]-5-methylfuran-2-carbohydrazide
CID 63572307
5-methyl-4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 62274485
2-[(2-hydroxy-3-methylphenyl)methyl-propylamino]-N,N-dimethylacetamide
CID 112553556

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid (CID 62274669) is 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid is CCCN(CC(=O)N(C)C)Cc1cc(C(=O)O)oc1C.
What is the InChIKey of 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is WANWCQNXVWXPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-6-16(9-13(17)15(3)4)8-11-7-12(14(18)19)20-10(11)2/h7H,5-6,8-9H2,1-4H3,(H,18,19).
What are the key properties of 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid?
4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(dimethylamino)-2-oxoethyl]-propylamino]methyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 62274669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).