2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C20H26N2O2 — CID 54811586

IUPAC2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(NCC(=O)NCc2ccc(OC(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)24-18-8-6-17(7-9-18)12-22-20(23)13-21-19-10-5-15(3)11-16(19)4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyVYEZZNNYLHQVCN-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.82
Rot. Bonds7

About 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 54811586) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID54811586
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(NCC(=O)NCc2ccc(OC(C)C)cc2)c(C)c1
InChIInChI=1S/C20H26N2O2/c1-14(2)24-18-8-6-17(7-9-18)12-22-20(23)13-21-19-10-5-15(3)11-16(19)4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23)
InChIKeyVYEZZNNYLHQVCN-UHFFFAOYSA-N
XLogP3.82
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54831154
N-(2,5-dimethylphenyl)-2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 54845352
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-(2-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26417831
N-[(4-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 92676497
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 92682709
N'-(2,4-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54805668
4-[[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54840298
2-(4-butoxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54820264
2-[(4-methoxyphenyl)methylamino]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54838126
N-[(4-methoxyphenyl)methyl]-2-(2,4,6-trimethylanilino)acetamide
CID 54812010
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 54811586) is 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is Cc1ccc(NCC(=O)NCc2ccc(OC(C)C)cc2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is VYEZZNNYLHQVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14(2)24-18-8-6-17(7-9-18)12-22-20(23)13-21-19-10-5-15(3)11-16(19)4/h5-11,14,21H,12-13H2,1-4H3,(H,22,23).
What are the key properties of 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 326.44 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 54811586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).