N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide

C21H26N2O2 — CID 101117712

IUPACN-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide
SMILESCN(C)c1ccc(C(=O)N(Cc2ccccc2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)20(25)23(15-16-9-7-6-8-10-16)19(24)17-11-13-18(14-12-17)22(4)5/h6-14H,15H2,1-5H3
InChIKeyUSMRBNNASBZEKN-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.97
Rot. Bonds4

About N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide

N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide (PubChem CID 101117712) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide
PubChem CID101117712
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide
SMILESCN(C)c1ccc(C(=O)N(Cc2ccccc2)C(=O)C(C)(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)20(25)23(15-16-9-7-6-8-10-16)19(24)17-11-13-18(14-12-17)22(4)5/h6-14H,15H2,1-5H3
InChIKeyUSMRBNNASBZEKN-UHFFFAOYSA-N
XLogP3.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide?
The IUPAC name of N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide (CID 101117712) is N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide.
What is the SMILES notation for N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide?
The canonical SMILES for N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide is CN(C)c1ccc(C(=O)N(Cc2ccccc2)C(=O)C(C)(C)C)cc1.
What is the InChIKey of N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide?
The InChIKey is USMRBNNASBZEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2,3)20(25)23(15-16-9-7-6-8-10-16)19(24)17-11-13-18(14-12-17)22(4)5/h6-14H,15H2,1-5H3.
What are the key properties of N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide?
N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(dimethylamino)-N-(2,2-dimethylpropanoyl)benzamide is sourced from PubChem (CID 101117712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).