2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

C18H20ClNO4 — CID 8935879

IUPAC2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H20ClNO4/c1-22-15-4-6-16(7-5-15)24-10-9-20-18(21)12-13-11-14(19)3-8-17(13)23-2/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyMQVSRSRPWHITQL-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.09
Rot. Bonds8

About 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide

2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (PubChem CID 8935879) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
PubChem CID8935879
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
SMILESCOc1ccc(OCCNC(=O)Cc2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C18H20ClNO4/c1-22-15-4-6-16(7-5-15)24-10-9-20-18(21)12-13-11-14(19)3-8-17(13)23-2/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyMQVSRSRPWHITQL-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
2-(2,5-dimethoxyphenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 78892262
2-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)acetamide
CID 110767257
2-(2,5-dimethoxyphenyl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 78882858
2-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]acetamide
CID 113102048
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
N-[(5-chloro-2-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 110780278
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005315
methyl 3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropanoate
CID 84578757
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
2-(5-chloro-2-methoxyphenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 39467305
3-(2,4-dichloroanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031081

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide (CID 8935879) is 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is COc1ccc(OCCNC(=O)Cc2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
The InChIKey is MQVSRSRPWHITQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-22-15-4-6-16(7-5-15)24-10-9-20-18(21)12-13-11-14(19)3-8-17(13)23-2/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide?
2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide has a molecular weight of 349.81 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide is sourced from PubChem (CID 8935879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).