3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide

C18H31N3O — CID 82167891

IUPAC3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)NCC(C)C)cc1N
InChIInChI=1S/C18H31N3O/c1-5-9-21(10-6-2)13-16-8-7-15(11-17(16)19)18(22)20-12-14(3)4/h7-8,11,14H,5-6,9-10,12-13,19H2,1-4H3,(H,20,22)
InChIKeyIBIMNNBUTZVICR-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.28
Rot. Bonds9

About 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide

3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 82167891) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide
PubChem CID82167891
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide
SMILESCCCN(CCC)Cc1ccc(C(=O)NCC(C)C)cc1N
InChIInChI=1S/C18H31N3O/c1-5-9-21(10-6-2)13-16-8-7-15(11-17(16)19)18(22)20-12-14(3)4/h7-8,11,14H,5-6,9-10,12-13,19H2,1-4H3,(H,20,22)
InChIKeyIBIMNNBUTZVICR-UHFFFAOYSA-N
XLogP3.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.28
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

3-amino-4-[(dipropylamino)methyl]benzoic acid
CID 82165849
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
3-amino-N-(2-methylpropyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 82167896
3-amino-4-bromo-N-(2-methylpropyl)benzamide
CID 39369897
3-amino-N-(2-methylpropyl)-4-propoxybenzamide
CID 82070281
3-amino-4-[(dimethylamino)methyl]-N-ethylbenzamide
CID 82165922
4-ethyl-N-(2-methylpropyl)-3-sulfamoylbenzamide
CID 65374609
3-amino-4-[(2-methylpiperidin-1-yl)methyl]-N-(2-methylpropyl)benzamide
CID 82167886
3-amino-4-(diethylaminomethyl)benzamide
CID 43375439
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459354
4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
CID 107458527

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide (CID 82167891) is 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide is CCCN(CCC)Cc1ccc(C(=O)NCC(C)C)cc1N.
What is the InChIKey of 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is IBIMNNBUTZVICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-5-9-21(10-6-2)13-16-8-7-15(11-17(16)19)18(22)20-12-14(3)4/h7-8,11,14H,5-6,9-10,12-13,19H2,1-4H3,(H,20,22).
What are the key properties of 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide?
3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 305.47 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(dipropylamino)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 82167891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).