3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide

C15H25N3O2 — CID 82991324

IUPAC3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
SMILESCCC(CCO)CNc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C15H25N3O2/c1-4-11(7-8-19)10-17-14-6-5-12(9-13(14)16)15(20)18(2)3/h5-6,9,11,17,19H,4,7-8,10,16H2,1-3H3
InChIKeyGIFGGFKYVWINLW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.79
Rot. Bonds7

About 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide

3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide (PubChem CID 82991324) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
PubChem CID82991324
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide
SMILESCCC(CCO)CNc1ccc(C(=O)N(C)C)cc1N
InChIInChI=1S/C15H25N3O2/c1-4-11(7-8-19)10-17-14-6-5-12(9-13(14)16)15(20)18(2)3/h5-6,9,11,17,19H,4,7-8,10,16H2,1-3H3
InChIKeyGIFGGFKYVWINLW-UHFFFAOYSA-N
XLogP1.79
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.79
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

3-amino-4-[(3-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 82992028
3-amino-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113803
3-amino-4-[(2-hydroxy-4-methylpentyl)amino]-N,N-dimethylbenzamide
CID 107151184
3-amino-N-ethyl-4-[2-(2-hydroxyethyl)pentylamino]benzamide
CID 106113866
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012
3-amino-N,N-dimethyl-4-(pentan-2-ylamino)benzamide
CID 82989916
4-(2-acetamidoethylamino)-3-amino-N,N-dimethylbenzamide
CID 82989637
3-amino-4-[(2,2-difluoro-3-hydroxypropyl)amino]-N,N-dimethylbenzamide
CID 106167628
3-amino-4-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzamide
CID 82991043
3-amino-N,N-dimethyl-4-(octan-4-ylamino)benzamide
CID 106022696
3-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 82989662
3-amino-4-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 82991282

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide (CID 82991324) is 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide is CCC(CCO)CNc1ccc(C(=O)N(C)C)cc1N.
What is the InChIKey of 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide?
The InChIKey is GIFGGFKYVWINLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-11(7-8-19)10-17-14-6-5-12(9-13(14)16)15(20)18(2)3/h5-6,9,11,17,19H,4,7-8,10,16H2,1-3H3.
What are the key properties of 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide?
3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide has a molecular weight of 279.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 82991324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).