2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide

C21H28N2O2 — CID 109008014

IUPAC2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCCc1cccc(CC)c1NCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-16-8-7-9-17(6-2)21(16)22-14-20(24)23-18-10-12-19(13-11-18)25-15(3)4/h7-13,15,22H,5-6,14H2,1-4H3,(H,23,24)
InChIKeyGPBPMESTJYDELK-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.65
Rot. Bonds8

About 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide

2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide (PubChem CID 109008014) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
PubChem CID109008014
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
SMILESCCc1cccc(CC)c1NCC(=O)Nc1ccc(OC(C)C)cc1
InChIInChI=1S/C21H28N2O2/c1-5-16-8-7-9-17(6-2)21(16)22-14-20(24)23-18-10-12-19(13-11-18)25-15(3)4/h7-13,15,22H,5-6,14H2,1-4H3,(H,23,24)
InChIKeyGPBPMESTJYDELK-UHFFFAOYSA-N
XLogP4.65
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109009437
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
2-(3-chloroanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809371
N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 47415261
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-(4-acetamidophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 54819189

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide (CID 109008014) is 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide is CCc1cccc(CC)c1NCC(=O)Nc1ccc(OC(C)C)cc1.
What is the InChIKey of 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
The InChIKey is GPBPMESTJYDELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-5-16-8-7-9-17(6-2)21(16)22-14-20(24)23-18-10-12-19(13-11-18)25-15(3)4/h7-13,15,22H,5-6,14H2,1-4H3,(H,23,24).
What are the key properties of 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide?
2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide has a molecular weight of 340.47 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-N-(4-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 109008014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).