N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide

C18H21NO2 — CID 706309

IUPACN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1
InChIInChI=1S/C18H21NO2/c1-11(2)15-10-16(13(4)9-17(15)20)19-18(21)14-7-5-6-12(3)8-14/h5-11,20H,1-4H3,(H,19,21)
InChIKeyVDBZXJROPXIJCL-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.38
Rot. Bonds3

About N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide (PubChem CID 706309) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
PubChem CID706309
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1
InChIInChI=1S/C18H21NO2/c1-11(2)15-10-16(13(4)9-17(15)20)19-18(21)14-7-5-6-12(3)8-14/h5-11,20H,1-4H3,(H,19,21)
InChIKeyVDBZXJROPXIJCL-UHFFFAOYSA-N
XLogP4.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]benzoyl]phenyl]-3-methylbenzamide
CID 139492461
N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
3-methyl-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507964
N-[2-hydroxy-5-[4-hydroxy-3-[(3-methylbenzoyl)amino]anilino]phenyl]-3-methylbenzamide
CID 139492464
1,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)thiourea
CID 3757180
N-(3-hydroxy-4-pyridinyl)-3-methylbenzamide
CID 66624966
4-hydroxy-3-[(3-methylbenzoyl)amino]benzamide
CID 70334005
3-methyl-N-(2,3,5-trichloro-4-hydroxyphenyl)benzamide
CID 5209652

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide?
The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide (CID 706309) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2cc(C(C)C)c(O)cc2C)c1.
What is the InChIKey of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide?
The InChIKey is VDBZXJROPXIJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-11(2)15-10-16(13(4)9-17(15)20)19-18(21)14-7-5-6-12(3)8-14/h5-11,20H,1-4H3,(H,19,21).
What are the key properties of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide?
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide is sourced from PubChem (CID 706309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).