4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide

C15H19N3O2 — CID 63361152

IUPAC4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCc2ccco2)c1
InChIInChI=1S/C15H19N3O2/c1-2-17-15(19)11-5-6-13(16)14(10-11)18-8-7-12-4-3-9-20-12/h3-6,9-10,18H,2,7-8,16H2,1H3,(H,17,19)
InChIKeyCIZOESGUIIMSIJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.27
Rot. Bonds6

About 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide

4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide (PubChem CID 63361152) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide
PubChem CID63361152
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)c(NCCc2ccco2)c1
InChIInChI=1S/C15H19N3O2/c1-2-17-15(19)11-5-6-13(16)14(10-11)18-8-7-12-4-3-9-20-12/h3-6,9-10,18H,2,7-8,16H2,1H3,(H,17,19)
InChIKeyCIZOESGUIIMSIJ-UHFFFAOYSA-N
XLogP2.27
TPSA80.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-(2-thiophen-2-ylethylamino)benzamide
CID 63360728
4-amino-3-[2-(carbamoylamino)ethylamino]-N-ethylbenzamide
CID 83116178
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide
CID 63361031
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
3-amino-N-ethyl-4-(furan-2-ylmethoxy)benzamide
CID 82999492
4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068
4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
CID 63358449
4-amino-3-anilino-N-ethylbenzamide
CID 55188757
N-[2-(furan-2-yl)ethyl]-4-methylbenzamide
CID 5305680

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide (CID 63361152) is 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide is CCNC(=O)c1ccc(N)c(NCCc2ccco2)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide?
The InChIKey is CIZOESGUIIMSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-17-15(19)11-5-6-13(16)14(10-11)18-8-7-12-4-3-9-20-12/h3-6,9-10,18H,2,7-8,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide?
4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide is sourced from PubChem (CID 63361152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).