N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide

C21H22N2O3 — CID 110634206

IUPACN-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide
SMILESO=C(NOCCCc1ccco1)C(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C21H22N2O3/c24-21(23-26-15-5-9-19-8-4-14-25-19)20(18-6-2-1-3-7-18)16-17-10-12-22-13-11-17/h1-4,6-8,10-14,20H,5,9,15-16H2,(H,23,24)
InChIKeyIJRRBWBAZGTYSZ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.68
Rot. Bonds9

About N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide

N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide (PubChem CID 110634206) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide
PubChem CID110634206
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide
SMILESO=C(NOCCCc1ccco1)C(Cc1ccncc1)c1ccccc1
InChIInChI=1S/C21H22N2O3/c24-21(23-26-15-5-9-19-8-4-14-25-19)20(18-6-2-1-3-7-18)16-17-10-12-22-13-11-17/h1-4,6-8,10-14,20H,5,9,15-16H2,(H,23,24)
InChIKeyIJRRBWBAZGTYSZ-UHFFFAOYSA-N
XLogP3.68
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide
CID 110634209
methyl N-[3-(furan-2-yl)propoxy]carbamate
CID 110315779
3-pyridin-4-ylpropyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78772298
2-phenyl-3-pyridin-4-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410530
N-(2-phenoxyethoxy)-2-phenyl-3-pyridin-3-ylpropanamide
CID 110632945
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95312794
7-(furan-2-yl)-2-phenylheptanethioic S-acid
CID 88622330
(2S)-N-(furan-2-ylmethyl)-2-phenylbutanamide
CID 40538690
N-[2-(furan-2-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 107025115
3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
N-[2-(cyclopropylamino)-2-oxoethyl]-2-phenyl-3-pyridin-4-ylpropanamide
CID 110625050

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide (CID 110634206) is N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide is O=C(NOCCCc1ccco1)C(Cc1ccncc1)c1ccccc1.
What is the InChIKey of N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide?
The InChIKey is IJRRBWBAZGTYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c24-21(23-26-15-5-9-19-8-4-14-25-19)20(18-6-2-1-3-7-18)16-17-10-12-22-13-11-17/h1-4,6-8,10-14,20H,5,9,15-16H2,(H,23,24).
What are the key properties of N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide?
N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propoxy]-2-phenyl-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 110634206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).