2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide

C21H27NO — CID 110178593

IUPAC2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27NO/c1-4-5-8-17-11-13-18(14-12-17)15-21(23)22-20-10-7-6-9-19(20)16(2)3/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,22,23)
InChIKeyPQPUBNKUUBJVBS-UHFFFAOYSA-N
MW309.45 g/mol
LogP5.33
Rot. Bonds7

About 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide

2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 110178593) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID110178593
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCCCCc1ccc(CC(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C21H27NO/c1-4-5-8-17-11-13-18(14-12-17)15-21(23)22-20-10-7-6-9-19(20)16(2)3/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,22,23)
InChIKeyPQPUBNKUUBJVBS-UHFFFAOYSA-N
XLogP5.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-aminophenyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119422754
2-(4-methylsulfonylphenyl)-N-(2-propan-2-ylphenyl)acetamide
CID 110771330
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-butylsulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 112781301
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
2-(4-butylphenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 46450100
N-(2-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 54818713
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-fluorophenyl)acetamide
CID 1122525
N-(2-propan-2-ylphenyl)-3-pyridin-4-ylpropanamide
CID 110468448
1-N,2-N,3-N,4-N-tetrakis(2-propan-2-ylphenyl)butane-1,2,3,4-tetracarboxamide
CID 67992289
2-nitroso-N-(2-propan-2-ylphenyl)acetamide
CID 91475814
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-hydroxyphenyl)acetate
CID 8671847

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide (CID 110178593) is 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide is CCCCc1ccc(CC(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is PQPUBNKUUBJVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-4-5-8-17-11-13-18(14-12-17)15-21(23)22-20-10-7-6-9-19(20)16(2)3/h6-7,9-14,16H,4-5,8,15H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide?
2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 309.45 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 110178593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).