N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide

C21H21NO3 — CID 95618415

IUPACN-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO3/c1-25-19-10-6-15(7-11-19)12-21(24)22-14-20(23)18-9-8-16-4-2-3-5-17(16)13-18/h2-11,13,20,23H,12,14H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyCEVRPDXGRFAYMQ-HXUWFJFHSA-N
MW335.40 g/mol
LogP3.24
Rot. Bonds6

About N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide

N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 95618415) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
PubChem CID95618415
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO3/c1-25-19-10-6-15(7-11-19)12-21(24)22-14-20(23)18-9-8-16-4-2-3-5-17(16)13-18/h2-11,13,20,23H,12,14H2,1H3,(H,22,24)/t20-/m1/s1
InChIKeyCEVRPDXGRFAYMQ-HXUWFJFHSA-N
XLogP3.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-(4-methoxyphenyl)acetamide
CID 56785818
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2-(4-ethoxyphenyl)acetamide
CID 72717724
2-(4-aminophenyl)-N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;hydrochloride
CID 119719526
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 95190317
N-(3-hydroxy-3-phenylpropyl)-2-(4-methoxyphenyl)acetamide
CID 71690034

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide (CID 95618415) is N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NC[C@@H](O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is CEVRPDXGRFAYMQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21NO3/c1-25-19-10-6-15(7-11-19)12-21(24)22-14-20(23)18-9-8-16-4-2-3-5-17(16)13-18/h2-11,13,20,23H,12,14H2,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide?
N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 335.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 95618415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).