4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide

C17H28N2O — CID 130470007

IUPAC4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc([C@@H]([C@H](C)C(C)(C)C)N(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-12(17(2,3)4)15(19(6)7)13-8-10-14(11-9-13)16(20)18-5/h8-12,15H,1-7H3,(H,18,20)/t12-,15+/m0/s1
InChIKeyGYYDNJUSUBAJEM-SWLSCSKDSA-N
MW276.42 g/mol
LogP3.33
Rot. Bonds4

About 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide

4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide (PubChem CID 130470007) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide
PubChem CID130470007
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc([C@@H]([C@H](C)C(C)(C)C)N(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-12(17(2,3)4)15(19(6)7)13-8-10-14(11-9-13)16(20)18-5/h8-12,15H,1-7H3,(H,18,20)/t12-,15+/m0/s1
InChIKeyGYYDNJUSUBAJEM-SWLSCSKDSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-(dimethylamino)-2-methylpropyl]-N-methylbenzamide
CID 118928753
4-[(1R)-1-(dimethylamino)-2-methylpropyl]benzoic acid
CID 118928762
N-methyl-4-(1-methylsulfanylethyl)benzamide
CID 59428965
N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999
N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide
CID 134213133
4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
CID 18089028
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
4-[4-(dimethylamino)phenyl]-N-methylbenzamide
CID 110487764
ethane;[4-(methylcarbamoyl)phenyl]boronic acid
CID 145286024
4-[[[(2S)-1-ethylsulfanylpropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 95904145
N-methylbenzamide
CID 11954

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide?
The IUPAC name of 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide (CID 130470007) is 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide?
The canonical SMILES for 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide is CNC(=O)c1ccc([C@@H]([C@H](C)C(C)(C)C)N(C)C)cc1.
What is the InChIKey of 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide?
The InChIKey is GYYDNJUSUBAJEM-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(17(2,3)4)15(19(6)7)13-8-10-14(11-9-13)16(20)18-5/h8-12,15H,1-7H3,(H,18,20)/t12-,15+/m0/s1.
What are the key properties of 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide?
4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-1-(dimethylamino)-2,3,3-trimethylbutyl]-N-methylbenzamide is sourced from PubChem (CID 130470007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).