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

C17H24ClN3O2 — CID 4601876

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide
SMILESCCN1CCC(=NNC(=O)C(C)Oc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C17H24ClN3O2/c1-4-21-9-7-15(8-10-21)19-20-17(22)13(3)23-16-6-5-14(18)11-12(16)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,20,22)
InChIKeyPYBCGKYKLKQLDU-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.00
Rot. Bonds5

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

2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide (PubChem CID 4601876) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide
PubChem CID4601876
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide
SMILESCCN1CCC(=NNC(=O)C(C)Oc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C17H24ClN3O2/c1-4-21-9-7-15(8-10-21)19-20-17(22)13(3)23-16-6-5-14(18)11-12(16)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,20,22)
InChIKeyPYBCGKYKLKQLDU-UHFFFAOYSA-N
XLogP3.00
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.00
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-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]acetamide
CID 3263957
(2S)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538015
(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538013
N-(cyclododecylideneamino)-2-(2,4-dichlorophenoxy)propanamide
CID 4220293
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(4-chloro-2-methylphenoxy)-N-(3-methylbutan-2-ylideneamino)propanamide
CID 4165286
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2931257
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
(2S)-2-(4-chloro-2-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
CID 7027007
2-(4-chloro-2-methylphenoxy)-N-(cyclopropylmethyl)propanamide
CID 86921283
2-(4-chloro-2-methylphenoxy)-N-[1-(2-hydroxyphenyl)propylideneamino]propanamide
CID 4139864
(2R)-2-(4-chloro-2-methylphenoxy)-N-[(2S)-2-phenylpropyl]propanamide
CID 8708990

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide (CID 4601876) is 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide is CCN1CCC(=NNC(=O)C(C)Oc2ccc(Cl)cc2C)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide?
The InChIKey is PYBCGKYKLKQLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-4-21-9-7-15(8-10-21)19-20-17(22)13(3)23-16-6-5-14(18)11-12(16)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,20,22).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[(1-ethylpiperidin-4-ylidene)amino]propanamide has a molecular weight of 337.85 g/mol, XLogP of 3.00, 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]propanamide is sourced from PubChem (CID 4601876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).