N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide

C18H22N2O — CID 110361177

IUPACN-(2-phenyl-3-pyridin-4-ylpropyl)butanamide
SMILESCCCC(=O)NCC(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-6-18(21)20-14-17(16-7-4-3-5-8-16)13-15-9-11-19-12-10-15/h3-5,7-12,17H,2,6,13-14H2,1H3,(H,20,21)
InChIKeyIHIHMUOPOOGCHP-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.32
Rot. Bonds7

About N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide

N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide (PubChem CID 110361177) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide.

Molecular Properties

Compound NameN-(2-phenyl-3-pyridin-4-ylpropyl)butanamide
PubChem CID110361177
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-(2-phenyl-3-pyridin-4-ylpropyl)butanamide
SMILESCCCC(=O)NCC(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C18H22N2O/c1-2-6-18(21)20-14-17(16-7-4-3-5-8-16)13-15-9-11-19-12-10-15/h3-5,7-12,17H,2,6,13-14H2,1H3,(H,20,21)
InChIKeyIHIHMUOPOOGCHP-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,3-diphenylpropyl)pentanamide
CID 120563401
2-amino-N-(2,3-diphenylpropyl)-2-methylpentanamide
CID 119803980
N-(2-phenyl-3-pyridin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 110361188
3-[2,3-diphenylpropylcarbamoyl(methyl)amino]propanoic acid
CID 122005203
N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361050
N-(2-phenylbutyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 47138932
3-(2-methylphenyl)-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 45207071
3-ethylsulfanyl-N-[(2S)-3-hydroxy-2-phenylpropyl]propanamide
CID 95973650
N-[(2S)-2-(4-methylpiperidin-1-yl)-2-phenylethyl]-3-pyridin-4-ylpropanamide
CID 92584194
N-(3-hydroxy-2-phenylpropyl)-2-(methylamino)acetamide
CID 120704917
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[2-oxo-2-(1-phenylethylamino)ethyl]butanamide
CID 47205693

Frequently Asked Questions

What is the IUPAC name of N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide?
The IUPAC name of N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide (CID 110361177) is N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide.
What is the SMILES notation for N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide?
The canonical SMILES for N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide is CCCC(=O)NCC(Cc1ccncc1)c1ccccc1.
What is the InChIKey of N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide?
The InChIKey is IHIHMUOPOOGCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-6-18(21)20-14-17(16-7-4-3-5-8-16)13-15-9-11-19-12-10-15/h3-5,7-12,17H,2,6,13-14H2,1H3,(H,20,21).
What are the key properties of N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide?
N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide has a molecular weight of 282.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenyl-3-pyridin-4-ylpropyl)butanamide is sourced from PubChem (CID 110361177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).