N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide

C21H21NO4 — CID 90497307

IUPACN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCC(O)c2cccc3ccccc23)c1
InChIInChI=1S/C21H21NO4/c1-25-16-8-5-9-17(12-16)26-14-21(24)22-13-20(23)19-11-4-7-15-6-2-3-10-18(15)19/h2-12,20,23H,13-14H2,1H3,(H,22,24)
InChIKeyMFTWCWAMTBZSJO-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.08
Rot. Bonds7

About N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide

N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide (PubChem CID 90497307) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide
PubChem CID90497307
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC NameN-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide
SMILESCOc1cccc(OCC(=O)NCC(O)c2cccc3ccccc23)c1
InChIInChI=1S/C21H21NO4/c1-25-16-8-5-9-17(12-16)26-14-21(24)22-13-20(23)19-11-4-7-15-6-2-3-10-18(15)19/h2-12,20,23H,13-14H2,1H3,(H,22,24)
InChIKeyMFTWCWAMTBZSJO-UHFFFAOYSA-N
XLogP3.08
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 90497330
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 111119904
2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide
CID 95367204
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
N-benzyl-2-(3-ethoxyphenoxy)acetamide
CID 112977703
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036
N-[(3,5-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxyacetamide
CID 55577770
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide?
The IUPAC name of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide (CID 90497307) is N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide?
The canonical SMILES for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide is COc1cccc(OCC(=O)NCC(O)c2cccc3ccccc23)c1.
What is the InChIKey of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide?
The InChIKey is MFTWCWAMTBZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-25-16-8-5-9-17(12-16)26-14-21(24)22-13-20(23)19-11-4-7-15-6-2-3-10-18(15)19/h2-12,20,23H,13-14H2,1H3,(H,22,24).
What are the key properties of N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide?
N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide has a molecular weight of 351.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-naphthalen-1-ylethyl)-2-(3-methoxyphenoxy)acetamide is sourced from PubChem (CID 90497307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).