2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide

C18H21NO2 — CID 42909032

IUPAC2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(O)c(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-13-8-11-17(20)16(12-13)18(21)19-14(2)9-10-15-6-4-3-5-7-15/h3-8,11-12,14,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyVKGBJSMQWXTIPE-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.45
Rot. Bonds5

About 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide

2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 42909032) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
PubChem CID42909032
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
SMILESCc1ccc(O)c(C(=O)NC(C)CCc2ccccc2)c1
InChIInChI=1S/C18H21NO2/c1-13-8-11-17(20)16(12-13)18(21)19-14(2)9-10-15-6-4-3-5-7-15/h3-8,11-12,14,20H,9-10H2,1-2H3,(H,19,21)
InChIKeyVKGBJSMQWXTIPE-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-5-iodo-N-(4-phenylbutan-2-yl)benzamide
CID 103600369
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
CID 54968038
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
CID 103830384
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
4-methyl-2-[1-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 43504749
5-methyl-N-[(2S)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 7322431
5-bromo-2-hydroxy-N-(1-phenylpropan-2-yl)benzamide
CID 107729749
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide (CID 42909032) is 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide is Cc1ccc(O)c(C(=O)NC(C)CCc2ccccc2)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is VKGBJSMQWXTIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-8-11-17(20)16(12-13)18(21)19-14(2)9-10-15-6-4-3-5-7-15/h3-8,11-12,14,20H,9-10H2,1-2H3,(H,19,21).
What are the key properties of 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide?
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 283.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 42909032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).