2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate

C16H18N2O4 — CID 17296731

IUPAC2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
SMILESCN(C)CCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-18(2)9-11-22-16(20)12-5-7-13(8-6-12)17-15(19)14-4-3-10-21-14/h3-8,10H,9,11H2,1-2H3,(H,17,19)
InChIKeyKZRWGQYLVOQKHU-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.25
Rot. Bonds6

About 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate

2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate (PubChem CID 17296731) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
PubChem CID17296731
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate
SMILESCN(C)CCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C16H18N2O4/c1-18(2)9-11-22-16(20)12-5-7-13(8-6-12)17-15(19)14-4-3-10-21-14/h3-8,10H,9,11H2,1-2H3,(H,17,19)
InChIKeyKZRWGQYLVOQKHU-UHFFFAOYSA-N
XLogP2.25
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate 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

hexyl 4-(furan-2-carbonylamino)benzoate
CID 19170342
heptyl 4-(furan-2-carbonylamino)benzoate
CID 565794
[2-(methylamino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909209
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909247
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
methyl 5-[[4-(furan-2-carbonylamino)benzoyl]oxymethyl]furan-2-carboxylate
CID 7734308
(4,5-dimethoxy-2-methylphenyl)methyl 4-(furan-2-carbonylamino)benzoate
CID 7734391
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 7734234
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909155
[2-(4-acetylpiperazin-1-yl)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate
CID 8909190
(4-methylphenyl) 4-(furan-2-carbonylamino)benzoate
CID 23995743
methyl 4-[[4-(furan-2-carbonylamino)phenoxy]methyl]benzoate
CID 112787723

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate (CID 17296731) is 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate is CN(C)CCOC(=O)c1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate?
The InChIKey is KZRWGQYLVOQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-18(2)9-11-22-16(20)12-5-7-13(8-6-12)17-15(19)14-4-3-10-21-14/h3-8,10H,9,11H2,1-2H3,(H,17,19).
What are the key properties of 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate?
2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate has a molecular weight of 302.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 17296731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).