2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

C24H27N3O2 — CID 6005888

IUPAC2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N/N=C\c1cccnc1
InChIInChI=1S/C24H27N3O2/c28-23(27-26-15-17-2-1-7-25-14-17)16-29-22-5-3-21(4-6-22)24-11-18-8-19(12-24)10-20(9-18)13-24/h1-7,14-15,18-20H,8-13,16H2,(H,27,28)/b26-15-
InChIKeyXLPNDYUVYSKRPK-YSMPRRRNSA-N
MW389.50 g/mol
LogP4.08
Rot. Bonds6

About 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 6005888) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID6005888
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESO=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N/N=C\c1cccnc1
InChIInChI=1S/C24H27N3O2/c28-23(27-26-15-17-2-1-7-25-14-17)16-29-22-5-3-21(4-6-22)24-11-18-8-19(12-24)10-20(9-18)13-24/h1-7,14-15,18-20H,8-13,16H2,(H,27,28)/b26-15-
InChIKeyXLPNDYUVYSKRPK-YSMPRRRNSA-N
XLogP4.08
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.08
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

2-(4-butylphenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 6042930
2-(3-methoxyphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19208665
azane;hydroxyimino-oxido-[[4-[2-oxo-2-[2-(pyridin-3-ylmethylidene)hydrazinyl]ethoxy]phenyl]methyl]azanium
CID 173185304
N-[4-(1-adamantyl)phenyl]-1-pyridin-3-ylmethanimine
CID 3436683
N-[(E)-[4-[2-[4-(1-adamantyl)anilino]-2-oxoethoxy]-3-methoxyphenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 126019561
2-(2-chlorophenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 6863841
2-phenoxy-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3543877
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
2-(2-cyanophenoxy)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 7032347
2-(2-tert-butylphenoxy)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 19190191
2-[[2-[4-[(E)-2-phenylethenyl]phenoxy]acetyl]amino]-N-[(E)-pyridin-3-ylmethylideneamino]propanamide
CID 10526552
2-(4-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 5428272

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (CID 6005888) is 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N/N=C\c1cccnc1.
What is the InChIKey of 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is XLPNDYUVYSKRPK-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-23(27-26-15-17-2-1-7-25-14-17)16-29-22-5-3-21(4-6-22)24-11-18-8-19(12-24)10-20(9-18)13-24/h1-7,14-15,18-20H,8-13,16H2,(H,27,28)/b26-15-.
What are the key properties of 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 389.50 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)phenoxy]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 6005888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).