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

C15H25N3O2 — CID 106140637

IUPAC4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC(C)(C)CCO
InChIInChI=1S/C15H25N3O2/c1-4-17-14(20)12-6-5-11(16)9-13(12)18-10-15(2,3)7-8-19/h5-6,9,18-19H,4,7-8,10,16H2,1-3H3,(H,17,20)
InChIKeyDWDANTDNXFRZNU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.84
Rot. Bonds7

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

4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide (PubChem CID 106140637) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
PubChem CID106140637
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCC(C)(C)CCO
InChIInChI=1S/C15H25N3O2/c1-4-17-14(20)12-6-5-11(16)9-13(12)18-10-15(2,3)7-8-19/h5-6,9,18-19H,4,7-8,10,16H2,1-3H3,(H,17,20)
InChIKeyDWDANTDNXFRZNU-UHFFFAOYSA-N
XLogP1.84
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.84
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

4-amino-2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-methylbenzamide
CID 106140800
4-amino-N-ethyl-2-[(2-methoxy-2-methylpropyl)amino]benzamide
CID 104758824
4-amino-N-ethyl-2-(2,3,3-trimethylbutylamino)benzamide
CID 83141974
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574
4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
CID 106308871
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-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81171388
4-amino-2-[[1-(dimethylamino)cyclobutyl]methylamino]-N-ethylbenzamide
CID 105413915
4-amino-N-ethyl-2-[(4-hydroxyoxan-4-yl)methylamino]benzamide
CID 81133747
5-amino-N-(5-hydroxy-2,2-dimethylpentyl)-2-methylbenzamide
CID 106139408
4-amino-N-ethyl-2-[(3-hydroxyoxolan-3-yl)methylamino]benzamide
CID 106099441

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide (CID 106140637) is 4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide is CCNC(=O)c1ccc(N)cc1NCC(C)(C)CCO.
What is the InChIKey of 4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide?
The InChIKey is DWDANTDNXFRZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-17-14(20)12-6-5-11(16)9-13(12)18-10-15(2,3)7-8-19/h5-6,9,18-19H,4,7-8,10,16H2,1-3H3,(H,17,20).
What are the key properties of 4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide?
4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide has a molecular weight of 279.38 g/mol, XLogP of 1.84, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[(4-hydroxy-2,2-dimethylbutyl)amino]benzamide is sourced from PubChem (CID 106140637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).