5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

C15H25N3O — CID 102705513

IUPAC5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCN(C)C(C)C)cc1N
InChIInChI=1S/C15H25N3O/c1-10(2)18(5)7-6-17-15(19)13-9-14(16)12(4)8-11(13)3/h8-10H,6-7,16H2,1-5H3,(H,17,19)
InChIKeyXUECSGKUYWYRCU-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.96
Rot. Bonds5

About 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide

5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (PubChem CID 102705513) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
PubChem CID102705513
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCN(C)C(C)C)cc1N
InChIInChI=1S/C15H25N3O/c1-10(2)18(5)7-6-17-15(19)13-9-14(16)12(4)8-11(13)3/h8-10H,6-7,16H2,1-5H3,(H,17,19)
InChIKeyXUECSGKUYWYRCU-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 65309104
2-amino-5-hydroxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 107075161
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
5-amino-N-(3-hydroxypropyl)-2,4-dimethylbenzamide
CID 102704987
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
2-hydroxy-4-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641544
5-amino-N-(3-hydroxypentyl)-2,4-dimethylbenzamide
CID 102705958
3-amino-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 55097599
5-amino-N-but-3-ynyl-2,4-dimethylbenzamide
CID 102705618
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
2,4-dibromo-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 103882713
5-amino-N-[3-(2-methoxyethylamino)-3-oxopropyl]-2,4-dimethylbenzamide
CID 102705898

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide (CID 102705513) is 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is Cc1cc(C)c(C(=O)NCCN(C)C(C)C)cc1N.
What is the InChIKey of 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
The InChIKey is XUECSGKUYWYRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)18(5)7-6-17-15(19)13-9-14(16)12(4)8-11(13)3/h8-10H,6-7,16H2,1-5H3,(H,17,19).
What are the key properties of 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide?
5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide has a molecular weight of 263.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide is sourced from PubChem (CID 102705513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).