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

C21H27NO4 — CID 132653883

IUPAC2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C21H27NO4/c1-4-17(26-20-14-8-7-13-19(20)25-3)21(23)22-15-9-11-16-10-5-6-12-18(16)24-2/h5-8,10,12-14,17H,4,9,11,15H2,1-3H3,(H,22,23)
InChIKeyDEPIRVJYLZZUEI-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.61
Rot. Bonds10

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

2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide (PubChem CID 132653883) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
PubChem CID132653883
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NCCCc1ccccc1OC
InChIInChI=1S/C21H27NO4/c1-4-17(26-20-14-8-7-13-19(20)25-3)21(23)22-15-9-11-16-10-5-6-12-18(16)24-2/h5-8,10,12-14,17H,4,9,11,15H2,1-3H3,(H,22,23)
InChIKeyDEPIRVJYLZZUEI-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

(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
(2R)-2-(3,4-dimethylphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 94015813
N-[3-(2-methoxyphenyl)propyl]-2-(4-methylphenoxy)butanamide
CID 132652282
(2S)-2-(4-fluorophenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 99954339
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 92673251
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655492
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
2-(2-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659512
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide (CID 132653883) is 2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide is CCC(Oc1ccccc1OC)C(=O)NCCCc1ccccc1OC.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
The InChIKey is DEPIRVJYLZZUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-17(26-20-14-8-7-13-19(20)25-3)21(23)22-15-9-11-16-10-5-6-12-18(16)24-2/h5-8,10,12-14,17H,4,9,11,15H2,1-3H3,(H,22,23).
What are the key properties of 2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide?
2-(2-methoxyphenoxy)-N-[3-(2-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-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 132653883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).