3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide

C16H27N3O2 — CID 82990428

IUPAC3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(C)(O)CC(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-5-18-15(20)12-6-7-14(13(17)8-12)19-10-16(4,21)9-11(2)3/h6-8,11,19,21H,5,9-10,17H2,1-4H3,(H,18,20)
InChIKeyXEBNUIZFCHXBLL-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.23
Rot. Bonds7

About 3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide

3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide (PubChem CID 82990428) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
PubChem CID82990428
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide
SMILESCCNC(=O)c1ccc(NCC(C)(O)CC(C)C)c(N)c1
InChIInChI=1S/C16H27N3O2/c1-5-18-15(20)12-6-7-14(13(17)8-12)19-10-16(4,21)9-11(2)3/h6-8,11,19,21H,5,9-10,17H2,1-4H3,(H,18,20)
InChIKeyXEBNUIZFCHXBLL-UHFFFAOYSA-N
XLogP2.23
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
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'}

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Related Compounds

3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N-methylbenzamide
CID 83000517
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 82989662
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
3-amino-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylbenzamide
CID 82993299
3-amino-N-ethyl-4-(5-methylhexylamino)benzamide
CID 82999486
3-amino-N-ethyl-4-(3-methylbut-2-enylamino)benzamide
CID 114155053
3-amino-N-ethyl-4-[2-(3-methylbutoxy)ethylamino]benzamide
CID 82990131
4-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-methoxybenzamide
CID 104783057
3-amino-N-ethyl-4-(pentylamino)benzamide
CID 82999753
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-[3-[methyl(propan-2-yl)amino]propylamino]benzamide
CID 106036691

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide (CID 82990428) is 3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide is CCNC(=O)c1ccc(NCC(C)(O)CC(C)C)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide?
The InChIKey is XEBNUIZFCHXBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-18-15(20)12-6-7-14(13(17)8-12)19-10-16(4,21)9-11(2)3/h6-8,11,19,21H,5,9-10,17H2,1-4H3,(H,18,20).
What are the key properties of 3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide?
3-amino-N-ethyl-4-[(2-hydroxy-2,4-dimethylpentyl)amino]benzamide has a molecular weight of 293.41 g/mol, XLogP of 2.23, 7 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-hydroxy-2,4-dimethylpentyl)amino]benzamide is sourced from PubChem (CID 82990428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).