4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide

C14H23N3O3 — CID 106308871

IUPAC4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCCCOCCO
InChIInChI=1S/C14H23N3O3/c1-2-16-14(19)12-5-4-11(15)10-13(12)17-6-3-8-20-9-7-18/h4-5,10,17-18H,2-3,6-9,15H2,1H3,(H,16,19)
InChIKeyZRSTVJGESOCCJF-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.83
Rot. Bonds9

About 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide

4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide (PubChem CID 106308871) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
PubChem CID106308871
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCCCOCCO
InChIInChI=1S/C14H23N3O3/c1-2-16-14(19)12-5-4-11(15)10-13(12)17-6-3-8-20-9-7-18/h4-5,10,17-18H,2-3,6-9,15H2,1H3,(H,16,19)
InChIKeyZRSTVJGESOCCJF-UHFFFAOYSA-N
XLogP0.83
TPSA96.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
CID 106140637
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
5-amino-2-(3-ethoxypropylamino)-N-methylbenzamide
CID 100653033
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
4-amino-N-methyl-2-(4-propan-2-yloxybutylamino)benzamide
CID 106006969
4-amino-N-ethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzamide
CID 115358011
4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106104018
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106394006
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide (CID 106308871) is 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide is CCNC(=O)c1ccc(N)cc1NCCCOCCO.
What is the InChIKey of 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide?
The InChIKey is ZRSTVJGESOCCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-16-14(19)12-5-4-11(15)10-13(12)17-6-3-8-20-9-7-18/h4-5,10,17-18H,2-3,6-9,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide?
4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide has a molecular weight of 281.36 g/mol, XLogP of 0.83, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide is sourced from PubChem (CID 106308871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).