2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide

C22H21NO2 — CID 174386014

IUPAC2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide
SMILESCc1ccc(CC(=O)N(c2ccccc2)c2ccccc2)c(C)c1O
InChIInChI=1S/C22H21NO2/c1-16-13-14-18(17(2)22(16)25)15-21(24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,25H,15H2,1-2H3
InChIKeyMKJGQFLKHBXGGB-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.92
Rot. Bonds4

About 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide

2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide (PubChem CID 174386014) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide
PubChem CID174386014
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide
SMILESCc1ccc(CC(=O)N(c2ccccc2)c2ccccc2)c(C)c1O
InChIInChI=1S/C22H21NO2/c1-16-13-14-18(17(2)22(16)25)15-21(24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,25H,15H2,1-2H3
InChIKeyMKJGQFLKHBXGGB-UHFFFAOYSA-N
XLogP4.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminophenyl)-N,N-diphenylacetamide
CID 156705003
2-(2-chlorophenyl)-N,N-diphenylacetamide
CID 54344934
2-chloro-N-[4-(dimethylamino)phenyl]-N-phenylacetamide
CID 70059360
CID 159685847
CID 159685847
N-ethyl-N-methyl-N',N'-diphenylbutanediamide
CID 172997394
methyl 2-[4-(N-(2-chloroacetyl)anilino)phenyl]acetate
CID 70059484
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469
4-oxo-N,N,4-triphenylbutanamide
CID 11695603
2,6-dimethyl-3-pentylphenol
CID 22762210
2-chloro-N-(2-chloroacetyl)-N-phenylacetamide
CID 82309091
3-chloro-N,N-diphenylpropanamide
CID 3331408
2-chloro-N-(hydroxymethyl)-N-phenylacetamide
CID 19762880

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide?
The IUPAC name of 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide (CID 174386014) is 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide.
What is the SMILES notation for 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide?
The canonical SMILES for 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide is Cc1ccc(CC(=O)N(c2ccccc2)c2ccccc2)c(C)c1O.
What is the InChIKey of 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide?
The InChIKey is MKJGQFLKHBXGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-16-13-14-18(17(2)22(16)25)15-21(24)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-14,25H,15H2,1-2H3.
What are the key properties of 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide?
2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide has a molecular weight of 331.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2,4-dimethylphenyl)-N,N-diphenylacetamide is sourced from PubChem (CID 174386014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).