3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide

C20H25N3O2 — CID 113120216

IUPAC3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C20H25N3O2/c1-17(24)23(16-19-11-5-6-13-21-19)15-12-20(25)22-14-7-10-18-8-3-2-4-9-18/h2-6,8-9,11,13H,7,10,12,14-16H2,1H3,(H,22,25)
InChIKeyGWXFDLXOVOWWAS-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.57
Rot. Bonds9

About 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide

3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide (PubChem CID 113120216) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
PubChem CID113120216
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide
SMILESCC(=O)N(CCC(=O)NCCCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C20H25N3O2/c1-17(24)23(16-19-11-5-6-13-21-19)15-12-20(25)22-14-7-10-18-8-3-2-4-9-18/h2-6,8-9,11,13H,7,10,12,14-16H2,1H3,(H,22,25)
InChIKeyGWXFDLXOVOWWAS-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.57
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

3-[acetyl(pyridin-2-ylmethyl)amino]-N-pentylpropanamide
CID 113120223
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113120193
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
3-[acetyl-[(4-chlorophenyl)methyl]amino]-N-(3-phenylpropyl)propanamide
CID 113119612
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]propanamide
CID 113120177
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113120157
3-[acetyl(pyridin-2-ylmethyl)amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113120171
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 113120169
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 113055213
N-(3-acetamidophenyl)-3-[acetyl(pyridin-2-ylmethyl)amino]propanamide
CID 113120288
3-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylpropanamide
CID 113120220

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide?
The IUPAC name of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide (CID 113120216) is 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide.
What is the SMILES notation for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide?
The canonical SMILES for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide is CC(=O)N(CCC(=O)NCCCc1ccccc1)Cc1ccccn1.
What is the InChIKey of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide?
The InChIKey is GWXFDLXOVOWWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-17(24)23(16-19-11-5-6-13-21-19)15-12-20(25)22-14-7-10-18-8-3-2-4-9-18/h2-6,8-9,11,13H,7,10,12,14-16H2,1H3,(H,22,25).
What are the key properties of 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide?
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(pyridin-2-ylmethyl)amino]-N-(3-phenylpropyl)propanamide is sourced from PubChem (CID 113120216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).