2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide

C15H19ClN2O2 — CID 3584693

IUPAC2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C15H19ClN2O2/c1-11(20-14-9-7-12(16)8-10-14)15(19)18-17-13-5-3-2-4-6-13/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyMCKKEQHMPIOLLY-UHFFFAOYSA-N
MW294.78 g/mol
LogP3.54
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide

2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide (PubChem CID 3584693) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide
PubChem CID3584693
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C15H19ClN2O2/c1-11(20-14-9-7-12(16)8-10-14)15(19)18-17-13-5-3-2-4-6-13/h7-11H,2-6H2,1H3,(H,18,19)
InChIKeyMCKKEQHMPIOLLY-UHFFFAOYSA-N
XLogP3.54
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide
CID 4196461
(2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide
CID 92640740
N-(cyclododecylideneamino)-2-(2,4-dichlorophenoxy)propanamide
CID 4220293
(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
(cyclohexylideneamino) 2-[4-(4-chlorophenoxy)phenoxy]propanoate
CID 13334447
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide
CID 4248848
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
2-(4-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 133249921

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide (CID 3584693) is 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide is CC(Oc1ccc(Cl)cc1)C(=O)NN=C1CCCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide?
The InChIKey is MCKKEQHMPIOLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11(20-14-9-7-12(16)8-10-14)15(19)18-17-13-5-3-2-4-6-13/h7-11H,2-6H2,1H3,(H,18,19).
What are the key properties of 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide?
2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide has a molecular weight of 294.78 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(cyclohexylideneamino)propanamide is sourced from PubChem (CID 3584693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).