4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide

C18H25ClN2O2 — CID 3397487

IUPAC4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN=CC1CCCCC1
InChIInChI=1S/C18H25ClN2O2/c1-14-12-16(19)9-10-17(14)23-11-5-8-18(22)21-20-13-15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3,(H,21,22)
InChIKeyCJBNTUBDIZFMGM-UHFFFAOYSA-N
MW336.86 g/mol
LogP4.49
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide

4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide (PubChem CID 3397487) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
PubChem CID3397487
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN=CC1CCCCC1
InChIInChI=1S/C18H25ClN2O2/c1-14-12-16(19)9-10-17(14)23-11-5-8-18(22)21-20-13-15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3,(H,21,22)
InChIKeyCJBNTUBDIZFMGM-UHFFFAOYSA-N
XLogP4.49
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-cycloheptylbutanamide
CID 4248767
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6015814
4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide
CID 4658763
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide
CID 5083065
N-[1-(4-aminophenyl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 5076363
4-(4-chloro-2-methylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]butanamide
CID 4613145
4-(4-chloro-2-methylphenoxy)-N-(oxolan-2-ylmethyl)butanamide
CID 2862808
4-chloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4110646
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
N-[(Z)-[(1R,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 27516899

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide (CID 3397487) is 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide is Cc1cc(Cl)ccc1OCCCC(=O)NN=CC1CCCCC1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide?
The InChIKey is CJBNTUBDIZFMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O2/c1-14-12-16(19)9-10-17(14)23-11-5-8-18(22)21-20-13-15-6-3-2-4-7-15/h9-10,12-13,15H,2-8,11H2,1H3,(H,21,22).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide?
4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide has a molecular weight of 336.86 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide is sourced from PubChem (CID 3397487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).