(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide

C20H20N2O3 — CID 95230216

IUPAC(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
SMILESCOc1ccc([C@@H](O)C(=O)N(C)Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O3/c1-22(13-14-11-16-5-3-4-6-18(16)21-12-14)20(24)19(23)15-7-9-17(25-2)10-8-15/h3-12,19,23H,13H2,1-2H3/t19-/m1/s1
InChIKeyPESFKNWNKQFEGM-LJQANCHMSA-N
MW336.39 g/mol
LogP2.94
Rot. Bonds5

About (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide

(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide (PubChem CID 95230216) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
PubChem CID95230216
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
SMILESCOc1ccc([C@@H](O)C(=O)N(C)Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O3/c1-22(13-14-11-16-5-3-4-6-18(16)21-12-14)20(24)19(23)15-7-9-17(25-2)10-8-15/h3-12,19,23H,13H2,1-2H3/t19-/m1/s1
InChIKeyPESFKNWNKQFEGM-LJQANCHMSA-N
XLogP2.94
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide
CID 91781862
3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733874
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
2-fluoro-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733867
N-benzyl-2-chloro-2-(4-methoxyphenyl)-N-methylacetamide
CID 131559171
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylquinoline-2-carboxamide
CID 9482645
4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110745532
acetic acid;N-benzyl-2-hydroxy-N-methyl-2-phenylacetamide
CID 67863072
(3-methoxyphenyl)-quinolin-3-ylmethanol
CID 60924189
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
2-(4-methoxyphenyl)-1-quinolin-3-ylethanamine
CID 61373627

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
The IUPAC name of (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide (CID 95230216) is (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide.
What is the SMILES notation for (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
The canonical SMILES for (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide is COc1ccc([C@@H](O)C(=O)N(C)Cc2cnc3ccccc3c2)cc1.
What is the InChIKey of (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
The InChIKey is PESFKNWNKQFEGM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22(13-14-11-16-5-3-4-6-18(16)21-12-14)20(24)19(23)15-7-9-17(25-2)10-8-15/h3-12,19,23H,13H2,1-2H3/t19-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide?
(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide has a molecular weight of 336.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide is sourced from PubChem (CID 95230216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).