N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide

C15H23NO2 — CID 111119754

IUPACN-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
SMILESCc1ccccc1C(O)CNC(=O)CCC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)8-9-15(18)16-10-14(17)13-7-5-4-6-12(13)3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyQZWYFNLTPUEJAL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.58
Rot. Bonds6

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

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide (PubChem CID 111119754) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
PubChem CID111119754
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
SMILESCc1ccccc1C(O)CNC(=O)CCC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)8-9-15(18)16-10-14(17)13-7-5-4-6-12(13)3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18)
InChIKeyQZWYFNLTPUEJAL-UHFFFAOYSA-N
XLogP2.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylbutylsulfanyl)acetamide
CID 111119954
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
N-[2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-4-methylpentanamide
CID 60591572
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide
CID 111120094
N-[2-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 111120128
N-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 111120044
N-[2-hydroxy-2-(2-methylphenyl)ethyl]prop-2-enamide
CID 166405126
(2R)-N-[(2R)-2-hydroxy-2-(2-methylphenyl)ethyl]-2-methyl-3-methylsulfanylpropanamide
CID 96530841
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-phenylethyl)urea
CID 111119523

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide?
The IUPAC name of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide (CID 111119754) is N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide.
What is the SMILES notation for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide?
The canonical SMILES for N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide is Cc1ccccc1C(O)CNC(=O)CCC(C)C.
What is the InChIKey of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide?
The InChIKey is QZWYFNLTPUEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)8-9-15(18)16-10-14(17)13-7-5-4-6-12(13)3/h4-7,11,14,17H,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide?
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide has a molecular weight of 249.35 g/mol, XLogP of 2.58, 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-(2-methylphenyl)ethyl]-4-methylpentanamide is sourced from PubChem (CID 111119754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).