N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide

C21H25NO4 — CID 24511404

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(OC(C)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-4-20(23)17-7-11-19(12-8-17)26-15(2)21(24)22-14-13-16-5-9-18(25-3)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyZBKRTHBYVAFQAQ-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.41
Rot. Bonds9

About N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide

N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide (PubChem CID 24511404) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide
PubChem CID24511404
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(OC(C)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H25NO4/c1-4-20(23)17-7-11-19(12-8-17)26-15(2)21(24)22-14-13-16-5-9-18(25-3)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24)
InChIKeyZBKRTHBYVAFQAQ-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
2-(4-methoxyphenoxy)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]propanamide
CID 46509267
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100768119
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533
4-[2-[2-(4-methylsulfanylphenoxy)propanoylamino]ethyl]benzoic acid
CID 119168846
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide (CID 24511404) is N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide is CCC(=O)c1ccc(OC(C)C(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide?
The InChIKey is ZBKRTHBYVAFQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-20(23)17-7-11-19(12-8-17)26-15(2)21(24)22-14-13-16-5-9-18(25-3)10-6-16/h5-12,15H,4,13-14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide?
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide has a molecular weight of 355.43 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide is sourced from PubChem (CID 24511404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).