N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide

C20H25NO2 — CID 86981673

IUPACN-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
SMILESCc1ccc(C(O)CNC(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-14(2)12-16-6-10-18(11-7-16)20(23)21-13-19(22)17-8-4-15(3)5-9-17/h4-11,14,19,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyAYCHQBSFEQTSAD-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.66
Rot. Bonds6

About N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide

N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide (PubChem CID 86981673) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
PubChem CID86981673
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
SMILESCc1ccc(C(O)CNC(=O)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C20H25NO2/c1-14(2)12-16-6-10-18(11-7-16)20(23)21-13-19(22)17-8-4-15(3)5-9-17/h4-11,14,19,22H,12-13H2,1-3H3,(H,21,23)
InChIKeyAYCHQBSFEQTSAD-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 138023195
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
(2S)-2-amino-3-[4-[[(2R)-3-methyl-2-[4-(4-methylphenyl)phenyl]butyl]carbamoyl]phenyl]propanoic acid
CID 121454766
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methyl-3-(4-methylphenyl)propanamide
CID 139000342
4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 52506460
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-(methylsulfanylmethyl)benzamide
CID 110888923

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide?
The IUPAC name of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide (CID 86981673) is N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide is Cc1ccc(C(O)CNC(=O)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide?
The InChIKey is AYCHQBSFEQTSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)12-16-6-10-18(11-7-16)20(23)21-13-19(22)17-8-4-15(3)5-9-17/h4-11,14,19,22H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide?
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide has a molecular weight of 311.43 g/mol, XLogP of 3.66, 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-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide is sourced from PubChem (CID 86981673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).