2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide

C25H34N2O3 — CID 58756726

IUPAC2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
SMILESCc1ccc(COCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C25H34N2O3/c1-21-9-11-22(12-10-21)19-29-20-25(28)26-13-6-16-30-24-8-5-7-23(17-24)18-27-14-3-2-4-15-27/h5,7-12,17H,2-4,6,13-16,18-20H2,1H3,(H,26,28)
InChIKeyNSPDVARXQCRGLR-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.08
Rot. Bonds11

About 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide

2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide (PubChem CID 58756726) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
PubChem CID58756726
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
SMILESCc1ccc(COCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1
InChIInChI=1S/C25H34N2O3/c1-21-9-11-22(12-10-21)19-29-20-25(28)26-13-6-16-30-24-8-5-7-23(17-24)18-27-14-3-2-4-15-27/h5,7-12,17H,2-4,6,13-16,18-20H2,1H3,(H,26,28)
InChIKeyNSPDVARXQCRGLR-UHFFFAOYSA-N
XLogP4.08
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.08
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-methoxy-N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 70559206
[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
CID 5105
3-amino-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 86182371
5-(4-hydroxyphenyl)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]pentanamide
CID 15029681
N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanediamide
CID 14792225
N-[3-[3-(pyrrolidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 12952125
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propylurea
CID 14514747
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
3-(2-hydroxyethylamino)-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]propanamide
CID 20567188
4-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]butan-2-one
CID 67876271
2-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]benzene-1,2-dicarboxamide
CID 20567167
2-[(4-fluorophenyl)sulfonylamino]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide
CID 45035731

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide?
The IUPAC name of 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide (CID 58756726) is 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide is Cc1ccc(COCC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide?
The InChIKey is NSPDVARXQCRGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-21-9-11-22(12-10-21)19-29-20-25(28)26-13-6-16-30-24-8-5-7-23(17-24)18-27-14-3-2-4-15-27/h5,7-12,17H,2-4,6,13-16,18-20H2,1H3,(H,26,28).
What are the key properties of 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide?
2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide has a molecular weight of 410.56 g/mol, XLogP of 4.08, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methoxy]-N-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 58756726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).