N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide

C19H23NO2 — CID 90498445

IUPACN-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(C)(O)CCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15-8-6-7-11-17(15)18(21)20-14-19(2,22)13-12-16-9-4-3-5-10-16/h3-11,22H,12-14H2,1-2H3,(H,20,21)
InChIKeyMVACDBFPSQJNHY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.11
Rot. Bonds6

About N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide

N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide (PubChem CID 90498445) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
PubChem CID90498445
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(C)(O)CCc1ccccc1
InChIInChI=1S/C19H23NO2/c1-15-8-6-7-11-17(15)18(21)20-14-19(2,22)13-12-16-9-4-3-5-10-16/h3-11,22H,12-14H2,1-2H3,(H,20,21)
InChIKeyMVACDBFPSQJNHY-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 113240365
2,5-dichloro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498520
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-(3-methylphenyl)acetamide
CID 90498459
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
2-chloro-6-fluoro-N-(2-hydroxy-2-methyl-4-phenylbutyl)benzamide
CID 90498490
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-oxochromene-3-carboxamide
CID 90498518
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663
2-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)acetamide
CID 90498486
N-(2-hydroxy-2-methyl-4-phenylbutyl)-N'-(4-methylphenyl)oxamide
CID 90498651
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
CID 90498496

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide?
The IUPAC name of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide (CID 90498445) is N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide is Cc1ccccc1C(=O)NCC(C)(O)CCc1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide?
The InChIKey is MVACDBFPSQJNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15-8-6-7-11-17(15)18(21)20-14-19(2,22)13-12-16-9-4-3-5-10-16/h3-11,22H,12-14H2,1-2H3,(H,20,21).
What are the key properties of N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide?
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide is sourced from PubChem (CID 90498445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).