N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide

C24H31NO — CID 72568774

IUPACN-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(C(C)=CC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H31NO/c1-6-7-8-19-9-15-22(16-10-19)25-23(26)21-13-11-20(12-14-21)18(2)17-24(3,4)5/h9-17H,6-8H2,1-5H3,(H,25,26)
InChIKeyQYUQAVZWTMUHPJ-UHFFFAOYSA-N
MW349.52 g/mol
LogP6.73
Rot. Bonds6

About N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide

N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide (PubChem CID 72568774) has the molecular formula C24H31NO and a molecular weight of 349.52 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide
PubChem CID72568774
Molecular FormulaC24H31NO
Molecular Weight349.52 g/mol
Exact Mass349.24
IUPAC NameN-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(C(C)=CC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H31NO/c1-6-7-8-19-9-15-22(16-10-19)25-23(26)21-13-11-20(12-14-21)18(2)17-24(3,4)5/h9-17H,6-8H2,1-5H3,(H,25,26)
InChIKeyQYUQAVZWTMUHPJ-UHFFFAOYSA-N
XLogP6.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
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CID 142028227
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CID 20630469
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
4-[(Z)-4,4-dimethylpent-2-en-2-yl]-N-naphthalen-2-ylbenzamide
CID 59811285
N-(4-butylphenyl)-4-(1,3,4-oxadiazol-2-yl)benzamide
CID 9075639
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
4-[[2-(4-butylphenyl)acetyl]amino]-N-methylbenzamide
CID 29442727
N-(4-butylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33163993

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide?
The IUPAC name of N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide (CID 72568774) is N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide?
The canonical SMILES for N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide is CCCCc1ccc(NC(=O)c2ccc(C(C)=CC(C)(C)C)cc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide?
The InChIKey is QYUQAVZWTMUHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO/c1-6-7-8-19-9-15-22(16-10-19)25-23(26)21-13-11-20(12-14-21)18(2)17-24(3,4)5/h9-17H,6-8H2,1-5H3,(H,25,26).
What are the key properties of N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide?
N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide has a molecular weight of 349.52 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(4,4-dimethylpent-2-en-2-yl)benzamide is sourced from PubChem (CID 72568774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).