N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide

C18H20ClNO4 — CID 99593313

IUPACN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC[C@@H](OC)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO4/c1-22-15-9-5-6-10-16(15)24-12-18(21)20-11-17(23-2)13-7-3-4-8-14(13)19/h3-10,17H,11-12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyVKBZAGUQXFTBRF-QGZVFWFLSA-N
MW349.81 g/mol
LogP3.23
Rot. Bonds8

About N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide

N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 99593313) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
PubChem CID99593313
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)NC[C@@H](OC)c1ccccc1Cl
InChIInChI=1S/C18H20ClNO4/c1-22-15-9-5-6-10-16(15)24-12-18(21)20-11-17(23-2)13-7-3-4-8-14(13)19/h3-10,17H,11-12H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeyVKBZAGUQXFTBRF-QGZVFWFLSA-N
XLogP3.23
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 90597971
2-(2-fluorophenoxy)-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]acetamide
CID 90597980
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
2-(2-methoxyphenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914369
N-[2-methoxy-2-(5-methylthiophen-2-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90598381
2-(2-methoxyphenoxy)-N-(2-methoxy-2-thiophen-3-ylethyl)acetamide
CID 90583918
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
2-[[2-(2-methoxyphenoxy)acetyl]amino]-N-(2-methylpropyl)acetamide
CID 49167933
N-(2-ethylbutyl)-2-(2-methoxyphenoxy)acetamide
CID 115612569
N-(2-aminopropyl)-2-(2-methoxyphenoxy)acetamide
CID 82354186
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
CID 90623820

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide (CID 99593313) is N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)NC[C@@H](OC)c1ccccc1Cl.
What is the InChIKey of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is VKBZAGUQXFTBRF-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-22-15-9-5-6-10-16(15)24-12-18(21)20-11-17(23-2)13-7-3-4-8-14(13)19/h3-10,17H,11-12H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide?
N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 349.81 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-chlorophenyl)-2-methoxyethyl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 99593313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).