3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

C21H27NO2 — CID 59836606

IUPAC3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(CC(C)(C)C)c2)cc1
InChIInChI=1S/C21H27NO2/c1-21(2,3)14-17-7-6-8-18(13-17)20(23)22(4)15-16-9-11-19(24-5)12-10-16/h6-13H,14-15H2,1-5H3
InChIKeyLULWSGZGJJLPLS-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.56
Rot. Bonds5

About 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 59836606) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID59836606
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(CC(C)(C)C)c2)cc1
InChIInChI=1S/C21H27NO2/c1-21(2,3)14-17-7-6-8-18(13-17)20(23)22(4)15-16-9-11-19(24-5)12-10-16/h6-13H,14-15H2,1-5H3
InChIKeyLULWSGZGJJLPLS-UHFFFAOYSA-N
XLogP4.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 59836648
3-(2,2-dimethylpropyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 59836602
N-[(4-methoxyphenyl)methyl]-N-methyl-3-methylsulfonylbenzamide
CID 39972148
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
N-[(4-methoxyphenyl)methyl]-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26250316
3-[[(3,4-dimethoxybenzoyl)-methylamino]methyl]benzoic acid
CID 59190884
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
3-amino-N-[3-(4-methoxyphenyl)propyl]-N-methylbenzamide;hydrochloride
CID 119739240
N-[(3-fluoro-4-methoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 78796913
3-(methanesulfonamido)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18117006

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (CID 59836606) is 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2cccc(CC(C)(C)C)c2)cc1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is LULWSGZGJJLPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-21(2,3)14-17-7-6-8-18(13-17)20(23)22(4)15-16-9-11-19(24-5)12-10-16/h6-13H,14-15H2,1-5H3.
What are the key properties of 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 325.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 59836606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).