N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide

C21H27NO3 — CID 53288894

IUPACN-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-4-16-7-13-19(14-8-16)25-20(5-2)21(23)22-15-17-9-11-18(12-10-17)24-6-3/h7-14,20H,4-6,15H2,1-3H3,(H,22,23)
InChIKeyXDPNRLFVNYKOJJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.12
Rot. Bonds9

About N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide

N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide (PubChem CID 53288894) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
PubChem CID53288894
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
SMILESCCOc1ccc(CNC(=O)C(CC)Oc2ccc(CC)cc2)cc1
InChIInChI=1S/C21H27NO3/c1-4-16-7-13-19(14-8-16)25-20(5-2)21(23)22-15-17-9-11-18(12-10-17)24-6-3/h7-14,20H,4-6,15H2,1-3H3,(H,22,23)
InChIKeyXDPNRLFVNYKOJJ-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 99133064
(2R)-2-(4-ethylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 99132972
(2R)-2-(4-ethylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99132925
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53289034
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 99133193
2-(2,3-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 46778407
2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 43911069
2-(4-methoxyphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 21368209
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenoxy)butanamide
CID 99130903
(2R)-2-(4-chlorophenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 9173431
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132653717

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide (CID 53288894) is N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide is CCOc1ccc(CNC(=O)C(CC)Oc2ccc(CC)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide?
The InChIKey is XDPNRLFVNYKOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-4-16-7-13-19(14-8-16)25-20(5-2)21(23)22-15-17-9-11-18(12-10-17)24-6-3/h7-14,20H,4-6,15H2,1-3H3,(H,22,23).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide?
N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide is sourced from PubChem (CID 53288894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).