4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide

C32H33NO5 — CID 91471780

IUPAC4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide
SMILESCc1cc(-c2ccc(C(=O)O)cc2)cc(C)c1O.Cc1cc(CCNC(=O)c2ccccc2)cc(C)c1O
InChIInChI=1S/C17H19NO2.C15H14O3/c1-12-10-14(11-13(2)16(12)19)8-9-18-17(20)15-6-4-3-5-7-15;1-9-7-13(8-10(2)14(9)16)11-3-5-12(6-4-11)15(17)18/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20);3-8,16H,1-2H3,(H,17,18)
InChIKeyCUNWDFHYEXXPNZ-UHFFFAOYSA-N
MW511.62 g/mol
LogP6.36
Rot. Bonds6

About 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide

4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide (PubChem CID 91471780) has the molecular formula C32H33NO5 and a molecular weight of 511.62 g/mol. Its IUPAC name is 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide
PubChem CID91471780
Molecular FormulaC32H33NO5
Molecular Weight511.62 g/mol
Exact Mass511.24
IUPAC Name4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide
SMILESCc1cc(-c2ccc(C(=O)O)cc2)cc(C)c1O.Cc1cc(CCNC(=O)c2ccccc2)cc(C)c1O
InChIInChI=1S/C17H19NO2.C15H14O3/c1-12-10-14(11-13(2)16(12)19)8-9-18-17(20)15-6-4-3-5-7-15;1-9-7-13(8-10(2)14(9)16)11-3-5-12(6-4-11)15(17)18/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20);3-8,16H,1-2H3,(H,17,18)
InChIKeyCUNWDFHYEXXPNZ-UHFFFAOYSA-N
XLogP6.36
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.62
LogP ≤ 56.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxy-3,5-dimethylphenyl)methyl]benzamide
CID 47216049
1-[4-(4-acetylphenyl)phenyl]ethanone;4-(4-acetylphenyl)-N-(2-phenylethyl)benzamide
CID 91489702
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554
4-(3-benzoyl-4-hydroxy-5-methylphenyl)benzoic acid
CID 139839153
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-methyl-5-(2-phenylethylcarbamoyl)benzoic acid
CID 68605911
N-[2-(3,4-dihydroxyphenyl)ethyl]benzamide
CID 4142764
4-methyl-3-N-[2-(4-phenylphenyl)ethyl]benzene-1,3-dicarboxamide
CID 166367703
N-[2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 23573608
3-(benzamidomethyl)-4-methylbenzoic acid
CID 178053095
4-[2-[(3-iodobenzoyl)amino]ethyl]benzoic acid
CID 43233757
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide (CID 91471780) is 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide is Cc1cc(-c2ccc(C(=O)O)cc2)cc(C)c1O.Cc1cc(CCNC(=O)c2ccccc2)cc(C)c1O.
What is the InChIKey of 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide?
The InChIKey is CUNWDFHYEXXPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.C15H14O3/c1-12-10-14(11-13(2)16(12)19)8-9-18-17(20)15-6-4-3-5-7-15;1-9-7-13(8-10(2)14(9)16)11-3-5-12(6-4-11)15(17)18/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20);3-8,16H,1-2H3,(H,17,18).
What are the key properties of 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide?
4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide has a molecular weight of 511.62 g/mol, XLogP of 6.36, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3,5-dimethylphenyl)benzoic acid;N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 91471780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).