5-amino-2-(dimethylamino)-N-hexylbenzamide

C15H25N3O — CID 61112107

IUPAC5-amino-2-(dimethylamino)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C15H25N3O/c1-4-5-6-7-10-17-15(19)13-11-12(16)8-9-14(13)18(2)3/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,19)
InChIKeyQLSUTERNCITWHF-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.64
Rot. Bonds7

About 5-amino-2-(dimethylamino)-N-hexylbenzamide

5-amino-2-(dimethylamino)-N-hexylbenzamide (PubChem CID 61112107) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-hexylbenzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-hexylbenzamide
PubChem CID61112107
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-2-(dimethylamino)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1cc(N)ccc1N(C)C
InChIInChI=1S/C15H25N3O/c1-4-5-6-7-10-17-15(19)13-11-12(16)8-9-14(13)18(2)3/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,19)
InChIKeyQLSUTERNCITWHF-UHFFFAOYSA-N
XLogP2.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-2-fluoro-N-hexylbenzamide
CID 61113619
2,4-diamino-N-hexylbenzamide
CID 61111728
octyl 5-amino-2-(dimethylamino)benzoate
CID 63446936
5-amino-2-(dimethylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62635734
5-amino-N-butyl-2-fluorobenzamide
CID 43510823
5-amino-2-(dimethylamino)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106242211
5-amino-2-(dimethylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106425099
5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
CID 55033066
5-amino-2-(dimethylamino)-N-(2-methoxypropyl)benzamide
CID 102694296
5-amino-N-[2-(tert-butylamino)-2-oxoethyl]-2-(dimethylamino)benzamide
CID 115355819
5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61214440

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-hexylbenzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-hexylbenzamide (CID 61112107) is 5-amino-2-(dimethylamino)-N-hexylbenzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-hexylbenzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-hexylbenzamide is CCCCCCNC(=O)c1cc(N)ccc1N(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-hexylbenzamide?
The InChIKey is QLSUTERNCITWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-5-6-7-10-17-15(19)13-11-12(16)8-9-14(13)18(2)3/h8-9,11H,4-7,10,16H2,1-3H3,(H,17,19).
What are the key properties of 5-amino-2-(dimethylamino)-N-hexylbenzamide?
5-amino-2-(dimethylamino)-N-hexylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-hexylbenzamide is sourced from PubChem (CID 61112107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).