4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide

C18H22N2O3 — CID 51193160

IUPAC4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
SMILESCOc1ccc(OCCCC(=O)NC(C)c2cccnc2)cc1
InChIInChI=1S/C18H22N2O3/c1-14(15-5-3-11-19-13-15)20-18(21)6-4-12-23-17-9-7-16(22-2)8-10-17/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,20,21)
InChIKeyMMQBFUQINQSDBI-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.13
Rot. Bonds8

About 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide

4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide (PubChem CID 51193160) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
PubChem CID51193160
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide
SMILESCOc1ccc(OCCCC(=O)NC(C)c2cccnc2)cc1
InChIInChI=1S/C18H22N2O3/c1-14(15-5-3-11-19-13-15)20-18(21)6-4-12-23-17-9-7-16(22-2)8-10-17/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,20,21)
InChIKeyMMQBFUQINQSDBI-UHFFFAOYSA-N
XLogP3.13
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.13
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

5-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]pentanamide
CID 94661779
4-(2-chlorophenoxy)-N-(1-pyridin-3-ylethyl)butanamide
CID 49372898
4-(2-chlorophenoxy)-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 94359742
5-oxo-5-[[(1S)-1-pyridin-3-ylethyl]amino]pentanoic acid
CID 81407204
6-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 43523747
N-(1-pyridin-3-ylethyl)-3-sulfanylpropanamide
CID 107022769
7-amino-N-(1-pyridin-3-ylethyl)heptanamide;hydrochloride
CID 119998836
6-oxo-6-phenyl-N-[(1R)-1-pyridin-3-ylethyl]hexanamide
CID 94172677
6-oxo-6-phenyl-N-(1-pyridin-3-ylethyl)hexanamide
CID 51085829
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 4-(4-methoxyphenoxy)butanoate
CID 7147418
2-(4-cyanophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 43396288
3-(4-methoxyphenyl)-N-[(1S)-1-(3-pyridin-3-ylphenyl)ethyl]propanamide
CID 58739189

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide?
The IUPAC name of 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide (CID 51193160) is 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide is COc1ccc(OCCCC(=O)NC(C)c2cccnc2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide?
The InChIKey is MMQBFUQINQSDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-14(15-5-3-11-19-13-15)20-18(21)6-4-12-23-17-9-7-16(22-2)8-10-17/h3,5,7-11,13-14H,4,6,12H2,1-2H3,(H,20,21).
What are the key properties of 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide?
4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide has a molecular weight of 314.39 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-N-(1-pyridin-3-ylethyl)butanamide is sourced from PubChem (CID 51193160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).