N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide

C21H27NO3 — CID 109380164

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide
SMILESCOc1ccc(C(O)CNC(=O)CCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H27NO3/c1-21(2,17-7-5-4-6-8-17)14-13-20(24)22-15-19(23)16-9-11-18(25-3)12-10-16/h4-12,19,23H,13-15H2,1-3H3,(H,22,24)
InChIKeyGAJCVWVCPGNWLD-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.60
Rot. Bonds8

About N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide (PubChem CID 109380164) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide
PubChem CID109380164
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide
SMILESCOc1ccc(C(O)CNC(=O)CCC(C)(C)c2ccccc2)cc1
InChIInChI=1S/C21H27NO3/c1-21(2,17-7-5-4-6-8-17)14-13-20(24)22-15-19(23)16-9-11-18(25-3)12-10-16/h4-12,19,23H,13-15H2,1-3H3,(H,22,24)
InChIKeyGAJCVWVCPGNWLD-UHFFFAOYSA-N
XLogP3.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 55655578
4-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119293246
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
7-amino-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]heptanamide
CID 119730561
2-[benzyl(methyl)amino]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 110908744
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42959591
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016
N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
CID 109379708
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-phenylpropanamide
CID 111424772
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide (CID 109380164) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide is COc1ccc(C(O)CNC(=O)CCC(C)(C)c2ccccc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide?
The InChIKey is GAJCVWVCPGNWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-21(2,17-7-5-4-6-8-17)14-13-20(24)22-15-19(23)16-9-11-18(25-3)12-10-16/h4-12,19,23H,13-15H2,1-3H3,(H,22,24).
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide has a molecular weight of 341.45 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methyl-4-phenylpentanamide is sourced from PubChem (CID 109380164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).