3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide

C23H31NO — CID 163393859

IUPAC3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide
SMILESCC(C)c1ccc(C(C)(C)CC(C)(C)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C23H31NO/c1-16(2)17-10-12-19(13-11-17)22(3,4)15-23(5,6)20-9-7-8-18(14-20)21(24)25/h7-14,16H,15H2,1-6H3,(H2,24,25)
InChIKeyCKLNCPBLGKRVOV-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.55
Rot. Bonds6

About 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide

3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide (PubChem CID 163393859) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide.

Molecular Properties

Compound Name3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide
PubChem CID163393859
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide
SMILESCC(C)c1ccc(C(C)(C)CC(C)(C)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C23H31NO/c1-16(2)17-10-12-19(13-11-17)22(3,4)15-23(5,6)20-9-7-8-18(14-20)21(24)25/h7-14,16H,15H2,1-6H3,(H2,24,25)
InChIKeyCKLNCPBLGKRVOV-UHFFFAOYSA-N
XLogP5.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-methyl-2-(4-propan-2-ylphenyl)propyl]urea
CID 115168740
3-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 18084674
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
N-[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamoyl bromide
CID 115194195
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
3-methylbenzamide;2-methylpropane
CID 160767336
1-(2-methyl-2-phenylpropyl)-3-(4-propan-2-ylphenyl)urea
CID 113213273
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 887218
2,3,3,5-tetramethyl-5-phenylhexanoic acid
CID 147319190
3-(2-methylpropyl)benzamide
CID 23130390
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
CID 114003701

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide?
The IUPAC name of 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide (CID 163393859) is 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide.
What is the SMILES notation for 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide?
The canonical SMILES for 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide is CC(C)c1ccc(C(C)(C)CC(C)(C)c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide?
The InChIKey is CKLNCPBLGKRVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-16(2)17-10-12-19(13-11-17)22(3,4)15-23(5,6)20-9-7-8-18(14-20)21(24)25/h7-14,16H,15H2,1-6H3,(H2,24,25).
What are the key properties of 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide?
3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide has a molecular weight of 337.51 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dimethyl-4-(4-propan-2-ylphenyl)pentan-2-yl]benzamide is sourced from PubChem (CID 163393859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).