2-(4-butylphenyl)-2-methylpropanamide

C14H21NO — CID 70289793

IUPAC2-(4-butylphenyl)-2-methylpropanamide
SMILESCCCCc1ccc(C(C)(C)C(N)=O)cc1
InChIInChI=1S/C14H21NO/c1-4-5-6-11-7-9-12(10-8-11)14(2,3)13(15)16/h7-10H,4-6H2,1-3H3,(H2,15,16)
InChIKeyCWJOHRUIXPXAFP-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-butylphenyl)-2-methylpropanamide

2-(4-butylphenyl)-2-methylpropanamide (PubChem CID 70289793) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(4-butylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-2-methylpropanamide
PubChem CID70289793
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(4-butylphenyl)-2-methylpropanamide
SMILESCCCCc1ccc(C(C)(C)C(N)=O)cc1
InChIInChI=1S/C14H21NO/c1-4-5-6-11-7-9-12(10-8-11)14(2,3)13(15)16/h7-10H,4-6H2,1-3H3,(H2,15,16)
InChIKeyCWJOHRUIXPXAFP-UHFFFAOYSA-N
XLogP2.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-(4-butylphenyl)-2-methylpropanoate
CID 67631955
ethyl 2-[4-[3-[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)phenyl]propyl]phenyl]-2-methylpropanoate
CID 70583800
3-methyl-3-(4-propylphenyl)butan-2-one
CID 82282891
1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
4-(4-tert-butylphenyl)butanamide
CID 20619639
2-[4-[(4-fluorophenyl)methyl]phenyl]-2-methylpropanamide
CID 70707919
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
3-[[2-(4-butylphenyl)acetyl]amino]-2,2-dimethylpropanamide
CID 56813745
3-amino-2-(4-butylphenyl)-2-methylpropan-1-ol
CID 112512078
3-amino-3-(4-butylphenyl)butan-1-ol
CID 112513147
CID 69445910
CID 69445910
4-butylbenzoic acid;zinc
CID 175174767

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-butylphenyl)-2-methylpropanamide (CID 70289793) is 2-(4-butylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-butylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-butylphenyl)-2-methylpropanamide is CCCCc1ccc(C(C)(C)C(N)=O)cc1.
What is the InChIKey of 2-(4-butylphenyl)-2-methylpropanamide?
The InChIKey is CWJOHRUIXPXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-5-6-11-7-9-12(10-8-11)14(2,3)13(15)16/h7-10H,4-6H2,1-3H3,(H2,15,16).
What are the key properties of 2-(4-butylphenyl)-2-methylpropanamide?
2-(4-butylphenyl)-2-methylpropanamide has a molecular weight of 219.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-2-methylpropanamide is sourced from PubChem (CID 70289793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).