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

C21H27NO3 — CID 110308817

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-16-7-9-17(10-8-16)5-4-6-21(24)22(2)15-20(23)18-11-13-19(25-3)14-12-18/h7-14,20,23H,4-6,15H2,1-3H3
InChIKeyAZZIVXAOSCAXGH-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.52
Rot. Bonds8

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

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide (PubChem CID 110308817) 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]-N-methyl-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide
PubChem CID110308817
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide
SMILESCOc1ccc(C(O)CN(C)C(=O)CCCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-16-7-9-17(10-8-16)5-4-6-21(24)22(2)15-20(23)18-11-13-19(25-3)14-12-18/h7-14,20,23H,4-6,15H2,1-3H3
InChIKeyAZZIVXAOSCAXGH-UHFFFAOYSA-N
XLogP3.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110308819
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N-methyl-5-oxopentanamide
CID 110308829
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-ylpentanamide
CID 110308820
4-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methylbutanamide
CID 110291134
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methyl-5-phenylpentanamide
CID 110308885
N-(2-hydroxypropyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 55061165
2-[4-(4-methoxyphenyl)butanoyl-methylamino]propanoic acid
CID 119208828
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-phenylbenzamide
CID 110291119
N-(4-methoxyphenyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 172554773
2-amino-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120666613
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)-N,3-dimethylbutanamide
CID 110313652
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide (CID 110308817) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide is COc1ccc(C(O)CN(C)C(=O)CCCc2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide?
The InChIKey is AZZIVXAOSCAXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-16-7-9-17(10-8-16)5-4-6-21(24)22(2)15-20(23)18-11-13-19(25-3)14-12-18/h7-14,20,23H,4-6,15H2,1-3H3.
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide has a molecular weight of 341.45 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 110308817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).