2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide

C18H18N2O3 — CID 90578916

IUPAC2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)NCC#CCOc1cccnc1
InChIInChI=1S/C18H18N2O3/c1-15(23-16-8-3-2-4-9-16)18(21)20-12-5-6-13-22-17-10-7-11-19-14-17/h2-4,7-11,14-15H,12-13H2,1H3,(H,20,21)
InChIKeyMSHWPUYMUVKKBB-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.05
Rot. Bonds6

About 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide

2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide (PubChem CID 90578916) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide.

Molecular Properties

Compound Name2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide
PubChem CID90578916
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide
SMILESCC(Oc1ccccc1)C(=O)NCC#CCOc1cccnc1
InChIInChI=1S/C18H18N2O3/c1-15(23-16-8-3-2-4-9-16)18(21)20-12-5-6-13-22-17-10-7-11-19-14-17/h2-4,7-11,14-15H,12-13H2,1H3,(H,20,21)
InChIKeyMSHWPUYMUVKKBB-UHFFFAOYSA-N
XLogP2.05
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-pyridin-3-yloxypropanamide
CID 112691638
N-[2-(methylamino)ethyl]-2-pyridin-3-yloxypropanamide
CID 119503233
2-methylsulfanyl-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90578973
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
2-pyridin-3-yloxypropanoic acid
CID 22668209
(2S)-2-phenoxy-N-(pyridin-4-ylmethyl)propanamide
CID 670240
N-ethyl-2-phenoxypropanamide
CID 4282518
N-(4-pyridin-3-yloxybut-2-ynyl)-1,2-oxazole-5-carboxamide
CID 90578764
4-cyano-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90579015
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
3-chloro-N-(4-pyridin-3-yloxybut-2-ynyl)benzamide
CID 90578880

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide?
The IUPAC name of 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide (CID 90578916) is 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide.
What is the SMILES notation for 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide?
The canonical SMILES for 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide is CC(Oc1ccccc1)C(=O)NCC#CCOc1cccnc1.
What is the InChIKey of 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide?
The InChIKey is MSHWPUYMUVKKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-15(23-16-8-3-2-4-9-16)18(21)20-12-5-6-13-22-17-10-7-11-19-14-17/h2-4,7-11,14-15H,12-13H2,1H3,(H,20,21).
What are the key properties of 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide?
2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide has a molecular weight of 310.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-(4-pyridin-3-yloxybut-2-ynyl)propanamide is sourced from PubChem (CID 90578916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).