N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide

C23H31NO3 — CID 54449161

IUPACN-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide
SMILESCCCCc1ccc(NC(=O)CCCC(C)(C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C23H31NO3/c1-4-5-7-17-9-11-18(12-10-17)24-22(27)8-6-15-23(2,3)20-14-13-19(25)16-21(20)26/h9-14,16,25-26H,4-8,15H2,1-3H3,(H,24,27)
InChIKeyWTSBTMVLSCNWIL-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.53
Rot. Bonds9

About N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide

N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide (PubChem CID 54449161) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide
PubChem CID54449161
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC NameN-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide
SMILESCCCCc1ccc(NC(=O)CCCC(C)(C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C23H31NO3/c1-4-5-7-17-9-11-18(12-10-17)24-22(27)8-6-15-23(2,3)20-14-13-19(25)16-21(20)26/h9-14,16,25-26H,4-8,15H2,1-3H3,(H,24,27)
InChIKeyWTSBTMVLSCNWIL-UHFFFAOYSA-N
XLogP5.53
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-heptylphenyl)heptanamide
CID 101077737
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CID 4076618
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
N-(4-butylphenyl)-3-methylsulfonylpropanamide
CID 127504583
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
N-(4-hydroxyphenyl)-6-(2-octadecanoylhydrazinyl)-6-oxohexanamide
CID 139759322
4-(2-bromo-4-tert-butylphenoxy)-N-(4-butylphenyl)butanamide
CID 19201575
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide?
The IUPAC name of N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide (CID 54449161) is N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide.
What is the SMILES notation for N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide?
The canonical SMILES for N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide is CCCCc1ccc(NC(=O)CCCC(C)(C)c2ccc(O)cc2O)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide?
The InChIKey is WTSBTMVLSCNWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-4-5-7-17-9-11-18(12-10-17)24-22(27)8-6-15-23(2,3)20-14-13-19(25)16-21(20)26/h9-14,16,25-26H,4-8,15H2,1-3H3,(H,24,27).
What are the key properties of N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide?
N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide has a molecular weight of 369.51 g/mol, XLogP of 5.53, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-(2,4-dihydroxyphenyl)-5-methylhexanamide is sourced from PubChem (CID 54449161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).