N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide

C16H26N2O — CID 70955109

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CN(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-7-8-14(13(2)9-12)15(19)17-10-16(3,4)11-18(5)6/h7-9H,10-11H2,1-6H3,(H,17,19)
InChIKeyFTBLUZXNJZZZJF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.62
Rot. Bonds5

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide (PubChem CID 70955109) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
PubChem CID70955109
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(C)CN(C)C)c(C)c1
InChIInChI=1S/C16H26N2O/c1-12-7-8-14(13(2)9-12)15(19)17-10-16(3,4)11-18(5)6/h7-9H,10-11H2,1-6H3,(H,17,19)
InChIKeyFTBLUZXNJZZZJF-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
CID 90499259
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 112770794
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
CID 103939907
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
CID 103839610
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzamide;dihydrochloride
CID 119946092
5-chloro-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(methylamino)benzamide
CID 62187110
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide (CID 70955109) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(C)(C)CN(C)C)c(C)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide?
The InChIKey is FTBLUZXNJZZZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-7-8-14(13(2)9-12)15(19)17-10-16(3,4)11-18(5)6/h7-9H,10-11H2,1-6H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 70955109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).