2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide

C16H22ClN3O2 — CID 3263957

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
SMILESCCN1CCC(=NNC(=O)COc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C16H22ClN3O2/c1-3-20-8-6-14(7-9-20)18-19-16(21)11-22-15-5-4-13(17)10-12(15)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyDXIJEACILGDTAF-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.62
Rot. Bonds5

About 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide (PubChem CID 3263957) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
PubChem CID3263957
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
SMILESCCN1CCC(=NNC(=O)COc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C16H22ClN3O2/c1-3-20-8-6-14(7-9-20)18-19-16(21)11-22-15-5-4-13(17)10-12(15)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyDXIJEACILGDTAF-UHFFFAOYSA-N
XLogP2.62
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.62
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

ethyl 4-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]piperidine-1-carboxylate
CID 9317266
2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide
CID 4601876
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4620122
N-(2-adamantylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 3441069
2-(4-chloro-2-methylphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 55729405
4-(4-chloro-2-methylphenoxy)-N-[(1-propan-2-ylpiperidin-4-ylidene)amino]butanamide
CID 5161966
2-(2,4-dichlorophenoxy)-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]acetamide
CID 7458620
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
N'-[2-(4-chloro-2-methylphenoxy)acetyl]butanehydrazide
CID 3250924
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
N-(6-bicyclo[3.2.0]hept-2-enylideneamino)-2-(4-chloro-2-methylphenoxy)acetamide
CID 5070678
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide (CID 3263957) is 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide is CCN1CCC(=NNC(=O)COc2ccc(Cl)cc2C)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide?
The InChIKey is DXIJEACILGDTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-3-20-8-6-14(7-9-20)18-19-16(21)11-22-15-5-4-13(17)10-12(15)2/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide has a molecular weight of 323.82 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide is sourced from PubChem (CID 3263957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).