2-(4-butylphenyl)-N-(2-methylpropyl)acetamide

C16H25NO — CID 60656279

IUPAC2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
SMILESCCCCc1ccc(CC(=O)NCC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-5-6-14-7-9-15(10-8-14)11-16(18)17-12-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,17,18)
InChIKeyBKYKFTZHFYPOJV-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.34
Rot. Bonds7

About 2-(4-butylphenyl)-N-(2-methylpropyl)acetamide

2-(4-butylphenyl)-N-(2-methylpropyl)acetamide (PubChem CID 60656279) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
PubChem CID60656279
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-butylphenyl)-N-(2-methylpropyl)acetamide
SMILESCCCCc1ccc(CC(=O)NCC(C)C)cc1
InChIInChI=1S/C16H25NO/c1-4-5-6-14-7-9-15(10-8-14)11-16(18)17-12-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,17,18)
InChIKeyBKYKFTZHFYPOJV-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-butylphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037146
3-[[2-(4-butylphenyl)acetyl]amino]-2-methylpropanoic acid
CID 62674607
(2S)-3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoic acid
CID 107832968
methyl 3-[[2-(4-butylphenyl)acetyl]amino]-2-hydroxypropanoate
CID 103879388
N-(2-methylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107019509
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
N-(3-aminobutyl)-2-(4-butylphenyl)acetamide;hydrochloride
CID 119499301
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
2-(4-butylphenyl)-N-(4-hydroxybutyl)acetamide
CID 106843310
3-[[2-(4-butylphenyl)acetyl]amino]butanoic acid
CID 43172656
N-(2-methylpropyl)-2-pyridin-4-ylacetamide
CID 78975326
N-(2-methylpropyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 110771379

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4-butylphenyl)-N-(2-methylpropyl)acetamide (CID 60656279) is 2-(4-butylphenyl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4-butylphenyl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4-butylphenyl)-N-(2-methylpropyl)acetamide is CCCCc1ccc(CC(=O)NCC(C)C)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-(2-methylpropyl)acetamide?
The InChIKey is BKYKFTZHFYPOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-5-6-14-7-9-15(10-8-14)11-16(18)17-12-13(2)3/h7-10,13H,4-6,11-12H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-butylphenyl)-N-(2-methylpropyl)acetamide?
2-(4-butylphenyl)-N-(2-methylpropyl)acetamide has a molecular weight of 247.38 g/mol, XLogP of 3.34, 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-methylpropyl)acetamide is sourced from PubChem (CID 60656279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).