2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

C18H21N3O2 — CID 6042930

IUPAC2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESCCCCc1ccc(OCC(=O)N/N=C\c2cccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-3-5-15-7-9-17(10-8-15)23-14-18(22)21-20-13-16-6-4-11-19-12-16/h4,6-13H,2-3,5,14H2,1H3,(H,21,22)/b20-13-
InChIKeyKTNYCWRXQJHECI-MOSHPQCFSA-N
MW311.38 g/mol
LogP2.95
Rot. Bonds8

About 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 6042930) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID6042930
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESCCCCc1ccc(OCC(=O)N/N=C\c2cccnc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-3-5-15-7-9-17(10-8-15)23-14-18(22)21-20-13-16-6-4-11-19-12-16/h4,6-13H,2-3,5,14H2,1H3,(H,21,22)/b20-13-
InChIKeyKTNYCWRXQJHECI-MOSHPQCFSA-N
XLogP2.95
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
CID 6876624
azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium
CID 173185304
2-(4-butylphenoxy)-N-(quinolin-8-ylmethylideneamino)acetamide
CID 4066919
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
2-(4-butylphenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6873068
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272
5-[(4-propylphenoxy)methyl]-N-[(E)-pyridin-3-ylmethylideneamino]furan-2-carboxamide
CID 6874482
2-(4-butylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135606578
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (CID 6042930) is 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is CCCCc1ccc(OCC(=O)N/N=C\c2cccnc2)cc1.
What is the InChIKey of 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is KTNYCWRXQJHECI-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-3-5-15-7-9-17(10-8-15)23-14-18(22)21-20-13-16-6-4-11-19-12-16/h4,6-13H,2-3,5,14H2,1H3,(H,21,22)/b20-13-.
What are the key properties of 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 6042930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).