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

C22H29NO6 — CID 55748572

IUPACN-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOCCOc1ccc(C(C)NC(=O)COc2ccc(C)cc2OC)cc1OC
InChIInChI=1S/C22H29NO6/c1-15-6-8-19(20(12-15)26-4)29-14-22(24)23-16(2)17-7-9-18(21(13-17)27-5)28-11-10-25-3/h6-9,12-13,16H,10-11,14H2,1-5H3,(H,23,24)
InChIKeyNFZJWJUKDQIGAF-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.29
Rot. Bonds11

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

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 55748572) has the molecular formula C22H29NO6 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID55748572
Molecular FormulaC22H29NO6
Molecular Weight403.48 g/mol
Exact Mass403.20
IUPAC NameN-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOCCOc1ccc(C(C)NC(=O)COc2ccc(C)cc2OC)cc1OC
InChIInChI=1S/C22H29NO6/c1-15-6-8-19(20(12-15)26-4)29-14-22(24)23-16(2)17-7-9-18(21(13-17)27-5)28-11-10-25-3/h6-9,12-13,16H,10-11,14H2,1-5H3,(H,23,24)
InChIKeyNFZJWJUKDQIGAF-UHFFFAOYSA-N
XLogP3.29
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18084333
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide
CID 55748250
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
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
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 8963184
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
2-(2-methoxy-4-methylphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 43793667
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 55748572) is N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COCCOc1ccc(C(C)NC(=O)COc2ccc(C)cc2OC)cc1OC.
What is the InChIKey of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is NFZJWJUKDQIGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO6/c1-15-6-8-19(20(12-15)26-4)29-14-22(24)23-16(2)17-7-9-18(21(13-17)27-5)28-11-10-25-3/h6-9,12-13,16H,10-11,14H2,1-5H3,(H,23,24).
What are the key properties of N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 55748572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).