2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide

C22H31N3O — CID 70790667

IUPAC2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide
SMILESCc1ccc(N(C)CCCN(C)C)c(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H31N3O/c1-16-8-11-21(25(6)13-7-12-24(4)5)20(14-16)22(26)23-19-10-9-17(2)18(3)15-19/h8-11,14-15H,7,12-13H2,1-6H3,(H,23,26)
InChIKeyLYIDVZMISJKTAQ-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.25
Rot. Bonds7

About 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide

2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide (PubChem CID 70790667) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide
PubChem CID70790667
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide
SMILESCc1ccc(N(C)CCCN(C)C)c(C(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H31N3O/c1-16-8-11-21(25(6)13-7-12-24(4)5)20(14-16)22(26)23-19-10-9-17(2)18(3)15-19/h8-11,14-15H,7,12-13H2,1-6H3,(H,23,26)
InChIKeyLYIDVZMISJKTAQ-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-(dimethylamino)-N-(3,4-dimethylphenyl)benzamide
CID 61090008
2-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107929934
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-[3-(dimethylamino)-4-methylphenyl]-2-hydroxy-5-methylbenzamide
CID 115377986
N-(3,4-dimethylphenyl)-2,4,5-trimethylbenzamide
CID 100707473
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
N-(4-ethoxy-3-methoxyphenyl)-2,5-dimethylbenzamide
CID 9100356
6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109366623
N-(4-bromo-3,5-dimethylphenyl)-2,5-dimethylbenzamide
CID 107574857
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
5-methyl-2-[methyl(pentyl)amino]benzoic acid
CID 62514125
1-[2-[3-(dimethylamino)propyl-methylamino]-5-fluorophenyl]ethanone
CID 63694387

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide?
The IUPAC name of 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide (CID 70790667) is 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide.
What is the SMILES notation for 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide?
The canonical SMILES for 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide is Cc1ccc(N(C)CCCN(C)C)c(C(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide?
The InChIKey is LYIDVZMISJKTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-16-8-11-21(25(6)13-7-12-24(4)5)20(14-16)22(26)23-19-10-9-17(2)18(3)15-19/h8-11,14-15H,7,12-13H2,1-6H3,(H,23,26).
What are the key properties of 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide?
2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide has a molecular weight of 353.51 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl-methylamino]-N-(3,4-dimethylphenyl)-5-methylbenzamide is sourced from PubChem (CID 70790667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).