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

C21H21NO3 — CID 95618412

IUPACN-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO3/c1-25-20-9-5-4-8-18(20)13-21(24)22-14-19(23)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,19,23H,13-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyAGZYCCKIBZJBKX-IBGZPJMESA-N
MW335.40 g/mol
LogP3.24
Rot. Bonds6

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

N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide (PubChem CID 95618412) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
PubChem CID95618412
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC NameN-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1CC(=O)NC[C@H](O)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO3/c1-25-20-9-5-4-8-18(20)13-21(24)22-14-19(23)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,19,23H,13-14H2,1H3,(H,22,24)/t19-/m0/s1
InChIKeyAGZYCCKIBZJBKX-IBGZPJMESA-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-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 95618415
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)acetamide
CID 55652673
N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 111112240
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 107832779
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 95190317
2-amino-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methoxypropanamide
CID 120989475
N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
CID 103770198
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]urea
CID 86903823

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide (CID 95618412) is N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide is COc1ccccc1CC(=O)NC[C@H](O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide?
The InChIKey is AGZYCCKIBZJBKX-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21NO3/c1-25-20-9-5-4-8-18(20)13-21(24)22-14-19(23)17-11-10-15-6-2-3-7-16(15)12-17/h2-12,19,23H,13-14H2,1H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide?
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-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-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 95618412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).