5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide

C15H25N3O — CID 61095752

IUPAC5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(N)ccc1N(C)C)C(C)C
InChIInChI=1S/C15H25N3O/c1-6-9-18(11(2)3)15(19)13-10-12(16)7-8-14(13)17(4)5/h7-8,10-11H,6,9,16H2,1-5H3
InChIKeyGLIIVWHXWWHIDJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.60
Rot. Bonds5

About 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide

5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide (PubChem CID 61095752) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
PubChem CID61095752
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(N)ccc1N(C)C)C(C)C
InChIInChI=1S/C15H25N3O/c1-6-9-18(11(2)3)15(19)13-10-12(16)7-8-14(13)17(4)5/h7-8,10-11H,6,9,16H2,1-5H3
InChIKeyGLIIVWHXWWHIDJ-UHFFFAOYSA-N
XLogP2.60
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(dimethylamino)-N-ethyl-N-(2-methylbutyl)benzamide
CID 79478168
5-amino-2-(dimethylamino)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 61106135
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
5-amino-N-cyclopropyl-2-(dimethylamino)-N-ethylbenzamide
CID 61095548
[1-oxo-1-(propylamino)propan-2-yl] 5-amino-2-(dimethylamino)benzoate
CID 61320669
5-amino-2-(dimethylamino)-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61114708
5-amino-2-(dimethylamino)-N-(4-hydroxybutan-2-yl)benzamide
CID 83176982
5-amino-2-(dimethylamino)-N-hexan-3-ylbenzamide
CID 55033066
2-bromo-N-propan-2-yl-N-propyl-5-sulfamoylbenzamide
CID 65388515
5-amino-2-(dimethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 62634675
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107
2-amino-5-methoxy-N-propan-2-yl-N-propylbenzamide
CID 54878406

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide (CID 61095752) is 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide is CCCN(C(=O)c1cc(N)ccc1N(C)C)C(C)C.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide?
The InChIKey is GLIIVWHXWWHIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-6-9-18(11(2)3)15(19)13-10-12(16)7-8-14(13)17(4)5/h7-8,10-11H,6,9,16H2,1-5H3.
What are the key properties of 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide?
5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide is sourced from PubChem (CID 61095752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).