3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide

C16H27N3O2 — CID 106113866

IUPAC3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide
SMILESCCCC(CCO)CNc1ccc(C(=O)NCC)cc1N
InChIInChI=1S/C16H27N3O2/c1-3-5-12(8-9-20)11-19-15-7-6-13(10-14(15)17)16(21)18-4-2/h6-7,10,12,19-20H,3-5,8-9,11,17H2,1-2H3,(H,18,21)
InChIKeyJQQFCVOZYHIVEF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.23
Rot. Bonds9

About 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide

3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide (PubChem CID 106113866) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide
PubChem CID106113866
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide
SMILESCCCC(CCO)CNc1ccc(C(=O)NCC)cc1N
InChIInChI=1S/C16H27N3O2/c1-3-5-12(8-9-20)11-19-15-7-6-13(10-14(15)17)16(21)18-4-2/h6-7,10,12,19-20H,3-5,8-9,11,17H2,1-2H3,(H,18,21)
InChIKeyJQQFCVOZYHIVEF-UHFFFAOYSA-N
XLogP2.23
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide 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

3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113803
3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
CID 82991324
3-amino-N-ethyl-4-[[(2S)-pentan-2-yl]amino]benzamide
CID 99919199
3-amino-4-(2,2-dicyclopropylethylamino)-N-ethylbenzamide
CID 82990421
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-4-[3-(dimethylamino)propylamino]-N-ethylbenzamide
CID 83000191
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
N-[2-(2-hydroxyethyl)pentyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103722801
3-amino-N-ethyl-4-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
CID 106036691
3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
CID 82990131
methyl 3-[2-amino-4-(ethylcarbamoyl)anilino]propanoate
CID 82999985

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide (CID 106113866) is 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide is CCCC(CCO)CNc1ccc(C(=O)NCC)cc1N.
What is the InChIKey of 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide?
The InChIKey is JQQFCVOZYHIVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-5-12(8-9-20)11-19-15-7-6-13(10-14(15)17)16(21)18-4-2/h6-7,10,12,19-20H,3-5,8-9,11,17H2,1-2H3,(H,18,21).
What are the key properties of 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide?
3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide has a molecular weight of 293.41 g/mol, XLogP of 2.23, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide is sourced from PubChem (CID 106113866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).