2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide

C21H27NO4 — CID 132653897

IUPAC2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C21H27NO4/c1-4-20(26-18-12-10-17(24-2)11-13-18)21(23)22-14-6-8-16-7-5-9-19(15-16)25-3/h5,7,9-13,15,20H,4,6,8,14H2,1-3H3,(H,22,23)
InChIKeyNLFOHZNJCXOLOG-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.61
Rot. Bonds10

About 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide

2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide (PubChem CID 132653897) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
PubChem CID132653897
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccc(OC)cc1)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C21H27NO4/c1-4-20(26-18-12-10-17(24-2)11-13-18)21(23)22-14-6-8-16-7-5-9-19(15-16)25-3/h5,7,9-13,15,20H,4,6,8,14H2,1-3H3,(H,22,23)
InChIKeyNLFOHZNJCXOLOG-UHFFFAOYSA-N
XLogP3.61
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132657819
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873
(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 30381733
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide (CID 132653897) is 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide is CCC(Oc1ccc(OC)cc1)C(=O)NCCCc1cccc(OC)c1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The InChIKey is NLFOHZNJCXOLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-20(26-18-12-10-17(24-2)11-13-18)21(23)22-14-6-8-16-7-5-9-19(15-16)25-3/h5,7,9-13,15,20H,4,6,8,14H2,1-3H3,(H,22,23).
What are the key properties of 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide has a molecular weight of 357.45 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 132653897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).