4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide

C26H30N2O3 — CID 55901621

IUPAC4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
SMILESCC(NC(=O)CCCOCCc1ccccc1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C26H30N2O3/c1-21(23-11-7-13-25(19-23)31-20-24-12-5-6-16-27-24)28-26(29)14-8-17-30-18-15-22-9-3-2-4-10-22/h2-7,9-13,16,19,21H,8,14-15,17-18,20H2,1H3,(H,28,29)
InChIKeyKGKMZTZEZATBCD-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.88
Rot. Bonds12

About 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide

4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide (PubChem CID 55901621) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
PubChem CID55901621
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
SMILESCC(NC(=O)CCCOCCc1ccccc1)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C26H30N2O3/c1-21(23-11-7-13-25(19-23)31-20-24-12-5-6-16-27-24)28-26(29)14-8-17-30-18-15-22-9-3-2-4-10-22/h2-7,9-13,16,19,21H,8,14-15,17-18,20H2,1H3,(H,28,29)
InChIKeyKGKMZTZEZATBCD-UHFFFAOYSA-N
XLogP4.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.88
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

3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902641
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide
CID 56545254
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55902507
3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902128
3-(1,3-benzothiazol-2-yl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902120
3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55901736
N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide
CID 47065984
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
1-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549388
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161
3-amino-2-methyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120503030

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide?
The IUPAC name of 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide (CID 55901621) is 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide.
What is the SMILES notation for 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide?
The canonical SMILES for 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide is CC(NC(=O)CCCOCCc1ccccc1)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide?
The InChIKey is KGKMZTZEZATBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-21(23-11-7-13-25(19-23)31-20-24-12-5-6-16-27-24)28-26(29)14-8-17-30-18-15-22-9-3-2-4-10-22/h2-7,9-13,16,19,21H,8,14-15,17-18,20H2,1H3,(H,28,29).
What are the key properties of 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide?
4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide has a molecular weight of 418.54 g/mol, XLogP of 4.88, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide is sourced from PubChem (CID 55901621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).