2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide

C16H21ClN2O2 — CID 4196461

IUPAC2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide
SMILESCC1CCC(=NNC(=O)C(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O2/c1-11-3-7-14(8-4-11)18-19-16(20)12(2)21-15-9-5-13(17)6-10-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,19,20)/b18-14-
InChIKeyUXRQHVGWSHHQEN-JXAWBTAJSA-N
MW308.81 g/mol
LogP3.79
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide

2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide (PubChem CID 4196461) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide
PubChem CID4196461
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide
SMILESCC1CCC(=NNC(=O)C(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN2O2/c1-11-3-7-14(8-4-11)18-19-16(20)12(2)21-15-9-5-13(17)6-10-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,19,20)/b18-14-
InChIKeyUXRQHVGWSHHQEN-JXAWBTAJSA-N
XLogP3.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.79
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-(cyclohexylideneamino)propanamide
CID 3584693
(2R)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538013
(2S)-2-(2,4-dichlorophenoxy)-N-[[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]hydrazinylidene]cyclohexylidene]amino]propanamide
CID 124538015
N-[(4-tert-butylcyclohexylidene)amino]-2-(4-nitrophenoxy)propanamide
CID 4248848
(2S)-N-(cyclohexylideneamino)-2-(4-phenylphenoxy)propanamide
CID 92640740
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
N-(cyclododecylideneamino)-2-(2,4-dichlorophenoxy)propanamide
CID 4220293
2-(4-chlorophenoxy)-N-cyclobutyloxypropanamide
CID 155413533
2-(4-chlorophenoxy)-N-(cyclohexylmethyl)propanamide
CID 133164152
2-[2-(4-chlorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812015
2-(4-chlorophenoxy)-N-phenylpropanamide
CID 4943865
(2S)-N-[(Z)-benzylideneamino]-2-(4-chlorophenoxy)propanamide
CID 5395999

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide (CID 4196461) is 2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide is CC1CCC(=NNC(=O)C(C)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide?
The InChIKey is UXRQHVGWSHHQEN-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11-3-7-14(8-4-11)18-19-16(20)12(2)21-15-9-5-13(17)6-10-15/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,19,20)/b18-14-.
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide?
2-(4-chlorophenoxy)-N-[(4-methylcyclohexylidene)amino]propanamide has a molecular weight of 308.81 g/mol, XLogP of 3.79, 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-[(4-methylcyclohexylidene)amino]propanamide is sourced from PubChem (CID 4196461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).