3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide

C23H32N2O — CID 46470304

IUPAC3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccccc2CN(C)C(C)C)c(C)c1
InChIInChI=1S/C23H32N2O/c1-17(2)25(5)16-22-9-7-6-8-21(22)15-24-23(26)13-12-20-11-10-18(3)14-19(20)4/h6-11,14,17H,12-13,15-16H2,1-5H3,(H,24,26)
InChIKeyJXCVDXPLJUFBCI-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.39
Rot. Bonds8

About 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide

3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide (PubChem CID 46470304) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
PubChem CID46470304
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide
SMILESCc1ccc(CCC(=O)NCc2ccccc2CN(C)C(C)C)c(C)c1
InChIInChI=1S/C23H32N2O/c1-17(2)25(5)16-22-9-7-6-8-21(22)15-24-23(26)13-12-20-11-10-18(3)14-19(20)4/h6-11,14,17H,12-13,15-16H2,1-5H3,(H,24,26)
InChIKeyJXCVDXPLJUFBCI-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564545
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 46455661
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 46455853
N-[2-(dimethylamino)-3-phenylpropyl]-3-(2,4-dimethylphenyl)propanamide
CID 24639990
2-(4-bromophenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 46470222
N-(3-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)propanamide
CID 119995938
3-[3-(2,4-dimethylphenyl)propanoylamino]-2-phenylpropanoic acid
CID 119254764
2-cyclopentyloxy-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]acetamide
CID 47056419
4-bromo-2-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]benzamide
CID 55837884
3-(2,4-dimethylphenyl)-N-(3-hydroxy-4-methylpentyl)propanamide
CID 111461043
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(2,4-dimethylphenyl)propanamide
CID 24681693
3-(2,4-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119439013

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide (CID 46470304) is 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide is Cc1ccc(CCC(=O)NCc2ccccc2CN(C)C(C)C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide?
The InChIKey is JXCVDXPLJUFBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-17(2)25(5)16-22-9-7-6-8-21(22)15-24-23(26)13-12-20-11-10-18(3)14-19(20)4/h6-11,14,17H,12-13,15-16H2,1-5H3,(H,24,26).
What are the key properties of 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide?
3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide has a molecular weight of 352.52 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 46470304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).