N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide

C22H29NO3 — CID 132653717

IUPACN-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
SMILESCCOc1ccc(CCCNC(=O)C(CC)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-4-21(26-20-12-8-17(3)9-13-20)22(24)23-16-6-7-18-10-14-19(15-11-18)25-5-2/h8-15,21H,4-7,16H2,1-3H3,(H,23,24)
InChIKeyODYNSVMKUSVTBA-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.30
Rot. Bonds10

About N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide

N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide (PubChem CID 132653717) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
PubChem CID132653717
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
SMILESCCOc1ccc(CCCNC(=O)C(CC)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-4-21(26-20-12-8-17(3)9-13-20)22(24)23-16-6-7-18-10-14-19(15-11-18)25-5-2/h8-15,21H,4-7,16H2,1-3H3,(H,23,24)
InChIKeyODYNSVMKUSVTBA-UHFFFAOYSA-N
XLogP4.30
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2S)-2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 99951781
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 93487721
2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655072
N-[(4-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 53288894
(2S)-2-(4-fluorophenoxy)-N-(3-phenylpropyl)butanamide
CID 99952431
2-(3,4-dimethylphenoxy)-N-[(4-ethoxyphenyl)methyl]butanamide
CID 53284415
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
2-(3,4-dimethylphenoxy)-N-(3-phenylpropyl)butanamide
CID 43905383
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide (CID 132653717) is N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide is CCOc1ccc(CCCNC(=O)C(CC)Oc2ccc(C)cc2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide?
The InChIKey is ODYNSVMKUSVTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-21(26-20-12-8-17(3)9-13-20)22(24)23-16-6-7-18-10-14-19(15-11-18)25-5-2/h8-15,21H,4-7,16H2,1-3H3,(H,23,24).
What are the key properties of N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide?
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide has a molecular weight of 355.48 g/mol, XLogP of 4.30, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide is sourced from PubChem (CID 132653717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).