2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide

C26H29NO3 — CID 17131474

IUPAC2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-3-21-15-17-23(18-16-21)30-20(2)26(28)27-24-13-7-8-14-25(24)29-19-9-12-22-10-5-4-6-11-22/h4-8,10-11,13-18,20H,3,9,12,19H2,1-2H3,(H,27,28)
InChIKeyIWKQSLDEXYDYLV-UHFFFAOYSA-N
MW403.52 g/mol
LogP5.67
Rot. Bonds10

About 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide

2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide (PubChem CID 17131474) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide
PubChem CID17131474
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide
SMILESCCc1ccc(OC(C)C(=O)Nc2ccccc2OCCCc2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-3-21-15-17-23(18-16-21)30-20(2)26(28)27-24-13-7-8-14-25(24)29-19-9-12-22-10-5-4-6-11-22/h4-8,10-11,13-18,20H,3,9,12,19H2,1-2H3,(H,27,28)
InChIKeyIWKQSLDEXYDYLV-UHFFFAOYSA-N
XLogP5.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.52
LogP ≤ 55.67
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

2-phenoxy-N-[2-(3-phenylpropoxy)phenyl]butanamide
CID 17131447
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
N-(2-butoxyphenyl)-2-(4-chlorophenoxy)propanamide
CID 17087061
2-(4-ethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 17093767
2-[2-(4-ethylphenoxy)propanoylamino]-N-(2-phenylethyl)benzamide
CID 4953369
(2S)-N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 40770254
N-(2-chlorophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953273
(2R)-N-(2-bromophenyl)-2-(4-ethylphenoxy)propanamide
CID 9236709
N-(2-butoxyphenyl)-2-(4-nitrophenoxy)propanamide
CID 17087091
2-(4-ethylphenoxy)-N-naphthalen-1-ylpropanamide
CID 4953259
2-(4-phenylphenoxy)-N-[4-(3-phenylpropoxy)phenyl]propanamide
CID 17130212
2-(4-ethylphenoxy)-N-[4-(3-phenylpropanoylamino)phenyl]propanamide
CID 17233586

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide (CID 17131474) is 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide is CCc1ccc(OC(C)C(=O)Nc2ccccc2OCCCc2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide?
The InChIKey is IWKQSLDEXYDYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO3/c1-3-21-15-17-23(18-16-21)30-20(2)26(28)27-24-13-7-8-14-25(24)29-19-9-12-22-10-5-4-6-11-22/h4-8,10-11,13-18,20H,3,9,12,19H2,1-2H3,(H,27,28).
What are the key properties of 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide?
2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide has a molecular weight of 403.52 g/mol, XLogP of 5.67, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[2-(3-phenylpropoxy)phenyl]propanamide is sourced from PubChem (CID 17131474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).