2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide

C21H26ClNO5 — CID 55748250

IUPAC2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide
SMILESCOCCOc1ccc(C(C)NC(=O)COc2ccc(Cl)c(C)c2)cc1OC
InChIInChI=1S/C21H26ClNO5/c1-14-11-17(6-7-18(14)22)28-13-21(24)23-15(2)16-5-8-19(20(12-16)26-4)27-10-9-25-3/h5-8,11-12,15H,9-10,13H2,1-4H3,(H,23,24)
InChIKeyCUJUYEXZUSKKFA-UHFFFAOYSA-N
MW407.89 g/mol
LogP3.94
Rot. Bonds10

About 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide

2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide (PubChem CID 55748250) has the molecular formula C21H26ClNO5 and a molecular weight of 407.89 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide
PubChem CID55748250
Molecular FormulaC21H26ClNO5
Molecular Weight407.89 g/mol
Exact Mass407.15
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide
SMILESCOCCOc1ccc(C(C)NC(=O)COc2ccc(Cl)c(C)c2)cc1OC
InChIInChI=1S/C21H26ClNO5/c1-14-11-17(6-7-18(14)22)28-13-21(24)23-15(2)16-5-8-19(20(12-16)26-4)27-10-9-25-3/h5-8,11-12,15H,9-10,13H2,1-4H3,(H,23,24)
InChIKeyCUJUYEXZUSKKFA-UHFFFAOYSA-N
XLogP3.94
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43916161
(3S)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 7045094
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 7719203
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide
CID 71885691
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 55747934
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 94048948
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
2-(4-tert-butylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329495

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide (CID 55748250) is 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide is COCCOc1ccc(C(C)NC(=O)COc2ccc(Cl)c(C)c2)cc1OC.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide?
The InChIKey is CUJUYEXZUSKKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNO5/c1-14-11-17(6-7-18(14)22)28-13-21(24)23-15(2)16-5-8-19(20(12-16)26-4)27-10-9-25-3/h5-8,11-12,15H,9-10,13H2,1-4H3,(H,23,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide has a molecular weight of 407.89 g/mol, XLogP of 3.94, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 55748250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).