N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide

C21H27NO4 — CID 43876210

IUPACN-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
SMILESCCOc1ccc(C(C)NC(=O)C(CC)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27NO4/c1-5-20(26-19-13-11-17(24-4)12-14-19)21(23)22-15(3)16-7-9-18(10-8-16)25-6-2/h7-15,20H,5-6H2,1-4H3,(H,22,23)
InChIKeyQPAITJGLXMIFAE-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.13
Rot. Bonds9

About N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide

N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide (PubChem CID 43876210) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
PubChem CID43876210
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
SMILESCCOc1ccc(C(C)NC(=O)C(CC)Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H27NO4/c1-5-20(26-19-13-11-17(24-4)12-14-19)21(23)22-15(3)16-7-9-18(10-8-16)25-6-2/h7-15,20H,5-6H2,1-4H3,(H,22,23)
InChIKeyQPAITJGLXMIFAE-UHFFFAOYSA-N
XLogP4.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 46770805
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 92683395
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583
(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 94018818
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561337
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide (CID 43876210) is N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide is CCOc1ccc(C(C)NC(=O)C(CC)Oc2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide?
The InChIKey is QPAITJGLXMIFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-20(26-19-13-11-17(24-4)12-14-19)21(23)22-15(3)16-7-9-18(10-8-16)25-6-2/h7-15,20H,5-6H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide?
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide has a molecular weight of 357.45 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide is sourced from PubChem (CID 43876210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).