2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide

C22H29NO — CID 102499696

IUPAC2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29NO/c1-6-23(7-2)21(24)20(17-11-9-8-10-12-17)18-13-15-19(16-14-18)22(3,4)5/h8-16,20H,6-7H2,1-5H3
InChIKeyYOBAEUKWNMUBBK-UHFFFAOYSA-N
MW323.48 g/mol
LogP4.98
Rot. Bonds5

About 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide

2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide (PubChem CID 102499696) has the molecular formula C22H29NO and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide
PubChem CID102499696
Molecular FormulaC22H29NO
Molecular Weight323.48 g/mol
Exact Mass323.22
IUPAC Name2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29NO/c1-6-23(7-2)21(24)20(17-11-9-8-10-12-17)18-13-15-19(16-14-18)22(3,4)5/h8-16,20H,6-7H2,1-5H3
InChIKeyYOBAEUKWNMUBBK-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
N-(4-tert-butylphenyl)-2,2-diphenylacetamide
CID 7914210
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
N-ethyl-2,2-diphenyl-N-(thiophen-2-ylmethyl)acetamide
CID 134014388
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide
CID 14897370
4-tert-butyl-N'-(2,2-diphenylacetyl)benzohydrazide
CID 3260570
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide (CID 102499696) is 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide?
The InChIKey is YOBAEUKWNMUBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO/c1-6-23(7-2)21(24)20(17-11-9-8-10-12-17)18-13-15-19(16-14-18)22(3,4)5/h8-16,20H,6-7H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide?
2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide has a molecular weight of 323.48 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 102499696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).