N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide

C20H25NO5 — CID 71885691

IUPACN-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide
SMILESCOc1cc(C(C)NC(=O)COc2cccc(C)c2)ccc1OCCO
InChIInChI=1S/C20H25NO5/c1-14-5-4-6-17(11-14)26-13-20(23)21-15(2)16-7-8-18(25-10-9-22)19(12-16)24-3/h4-8,11-12,15,22H,9-10,13H2,1-3H3,(H,21,23)
InChIKeyYPBMHXRKYYMDPS-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.63
Rot. Bonds9

About N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide

N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide (PubChem CID 71885691) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide
PubChem CID71885691
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide
SMILESCOc1cc(C(C)NC(=O)COc2cccc(C)c2)ccc1OCCO
InChIInChI=1S/C20H25NO5/c1-14-5-4-6-17(11-14)26-13-20(23)21-15(2)16-7-8-18(25-10-9-22)19(12-16)24-3/h4-8,11-12,15,22H,9-10,13H2,1-3H3,(H,21,23)
InChIKeyYPBMHXRKYYMDPS-UHFFFAOYSA-N
XLogP2.63
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 55747934
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 94048948
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
2-(3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 99132930
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 8751664
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26561387
2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide
CID 55748250
2-(3,5-dimethoxyphenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 92685210
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(3-methylphenoxy)butanamide
CID 9051513
2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188150

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide (CID 71885691) is N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide is COc1cc(C(C)NC(=O)COc2cccc(C)c2)ccc1OCCO.
What is the InChIKey of N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is YPBMHXRKYYMDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-14-5-4-6-17(11-14)26-13-20(23)21-15(2)16-7-8-18(25-10-9-22)19(12-16)24-3/h4-8,11-12,15,22H,9-10,13H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide?
N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 359.42 g/mol, XLogP of 2.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 71885691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).