N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide

C18H22N2O3 — CID 86830197

IUPACN-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide
SMILESCOCCCOc1ccccc1NC(=O)CCc1cccnc1
InChIInChI=1S/C18H22N2O3/c1-22-12-5-13-23-17-8-3-2-7-16(17)20-18(21)10-9-15-6-4-11-19-14-15/h2-4,6-8,11,14H,5,9-10,12-13H2,1H3,(H,20,21)
InChIKeyBXQAFXUFQSSPGO-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.07
Rot. Bonds9

About N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide

N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide (PubChem CID 86830197) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide
PubChem CID86830197
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide
SMILESCOCCCOc1ccccc1NC(=O)CCc1cccnc1
InChIInChI=1S/C18H22N2O3/c1-22-12-5-13-23-17-8-3-2-7-16(17)20-18(21)10-9-15-6-4-11-19-14-15/h2-4,6-8,11,14H,5,9-10,12-13H2,1H3,(H,20,21)
InChIKeyBXQAFXUFQSSPGO-UHFFFAOYSA-N
XLogP3.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.07
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

N-[2-(3-methoxypropoxy)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 86830228
4-[3-[2-(3-methoxypropoxy)anilino]-3-oxopropyl]benzoic acid
CID 119182274
N-[2-(4-ethoxyphenoxy)phenyl]-3-pyridin-3-ylpropanamide
CID 29224760
N-methyl-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 34754830
methyl 2-hydroxy-3-(3-pyridin-3-ylpropanoylamino)benzoate
CID 56784435
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
N-(2-cyanophenyl)-3-pyridin-3-ylpropanamide
CID 110864606
N-(2,6-dimethylphenyl)-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 46991790
N-(4-methoxybutyl)-4-pyridin-3-ylbutanamide
CID 110610244
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
3-(2-methoxyphenoxy)-N-(2-pyridin-3-ylethyl)propanamide
CID 86921991

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide (CID 86830197) is N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide is COCCCOc1ccccc1NC(=O)CCc1cccnc1.
What is the InChIKey of N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide?
The InChIKey is BXQAFXUFQSSPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-12-5-13-23-17-8-3-2-7-16(17)20-18(21)10-9-15-6-4-11-19-14-15/h2-4,6-8,11,14H,5,9-10,12-13H2,1H3,(H,20,21).
What are the key properties of N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide?
N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropoxy)phenyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 86830197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).