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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Related Compounds

N-benzyl-2-bromo-N-(2,2-dimethylpropanoyl)benzamide
CID 86218375
N-benzyl-2,2-dimethyl-N-(2-methylprop-2-enoyl)propanamide
CID 135086054
N-benzyl-4-(dimethylamino)-N-(2-iodophenyl)benzamide
CID 134974389
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
N-[[4-(dimethylamino)phenyl]methyl]-2-phenyl-N-(2-phenylethyl)acetamide
CID 42706280
tert-butyl N-benzyl-N-(4-chlorobenzoyl)carbamate
CID 91938097
4-(dimethylamino)-N-hydroxy-N-phenylbenzamide
CID 71402496
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
CID 770757
4-(dibenzylcarbamoyl)benzoic acid
CID 67563328
[4-(dimethylamino)phenyl]-phenylmethanone
CID 10737
tert-butyl N-benzyl-N-(naphthalene-2-carbonyl)carbamate
CID 101149303

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).