N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide

C24H25NO — CID 8918889

IUPACN-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C24H25NO/c1-18-14-15-20(16-19(18)2)17-23(26)25(3)24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,24H,17H2,1-3H3
InChIKeyGTFWUGRPXZXURQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP5.09
Rot. Bonds5

About N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide

N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide (PubChem CID 8918889) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
PubChem CID8918889
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC NameN-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide
SMILESCc1ccc(CC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1C
InChIInChI=1S/C24H25NO/c1-18-14-15-20(16-19(18)2)17-23(26)25(3)24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,24H,17H2,1-3H3
InChIKeyGTFWUGRPXZXURQ-UHFFFAOYSA-N
XLogP5.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-amino-1-phenylethyl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 146176829
N-benzhydryl-N-methyl-2-(4-phenylphenyl)acetamide
CID 2103734
2-(3,4-dimethylphenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 138739466
N-(1-chloropropan-2-yl)-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 104555801
4-amino-1-(3,4-dimethylphenyl)-4-phenylbutan-2-one
CID 116553095
5-amino-1-(3,4-dimethylphenyl)-5-phenylpentan-2-one
CID 116570888
2-[[2-(4-methoxy-3-methylphenyl)acetyl]-methylamino]propanoic acid
CID 110834445
2-(3,4-dimethoxy-5-methylphenyl)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 122595148
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
2-(4-hydroxyphenyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 78809223
2-[butan-2-yl-[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 62553124
N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 8503043

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide (CID 8918889) is N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide is Cc1ccc(CC(=O)N(C)C(c2ccccc2)c2ccccc2)cc1C.
What is the InChIKey of N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide?
The InChIKey is GTFWUGRPXZXURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO/c1-18-14-15-20(16-19(18)2)17-23(26)25(3)24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-16,24H,17H2,1-3H3.
What are the key properties of N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide?
N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide has a molecular weight of 343.47 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(3,4-dimethylphenyl)-N-methylacetamide is sourced from PubChem (CID 8918889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).