4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide

C22H29ClN2O2 — CID 19191158

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C22H29ClN2O2/c1-5-25(6-2)19-11-9-18(10-12-19)24-21(26)8-7-13-27-20-14-16(3)22(23)17(4)15-20/h9-12,14-15H,5-8,13H2,1-4H3,(H,24,26)
InChIKeyPVPSDXKCERNMRG-UHFFFAOYSA-N
MW388.94 g/mol
LogP5.60
Rot. Bonds9

About 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide

4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide (PubChem CID 19191158) has the molecular formula C22H29ClN2O2 and a molecular weight of 388.94 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
PubChem CID19191158
Molecular FormulaC22H29ClN2O2
Molecular Weight388.94 g/mol
Exact Mass388.19
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
SMILESCCN(CC)c1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C22H29ClN2O2/c1-5-25(6-2)19-11-9-18(10-12-19)24-21(26)8-7-13-27-20-14-16(3)22(23)17(4)15-20/h9-12,14-15H,5-8,13H2,1-4H3,(H,24,26)
InChIKeyPVPSDXKCERNMRG-UHFFFAOYSA-N
XLogP5.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.94
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-3,5-dimethylphenoxy)-N-(4-fluorophenyl)butanamide
CID 19191108
4-(4-chloro-3,5-dimethylphenoxy)-N-(4-iodophenyl)butanamide
CID 19191112
4-[4-(4-chloro-3,5-dimethylphenoxy)butanoylamino]benzamide
CID 19191093
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082
4-(2-bromo-4-methylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19202635
N-[4-(diethylamino)phenyl]undecanamide
CID 4594726
N-[4-(diethylamino)phenyl]-N'-hydroxyoctanediamide
CID 166628013
N-[4-(diethylamino)phenyl]dodecanamide;hydrochloride
CID 54599918
5-bromo-N-[4-(diethylamino)phenyl]pentanamide
CID 107907428
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide (CID 19191158) is 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide is CCN(CC)c1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide?
The InChIKey is PVPSDXKCERNMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O2/c1-5-25(6-2)19-11-9-18(10-12-19)24-21(26)8-7-13-27-20-14-16(3)22(23)17(4)15-20/h9-12,14-15H,5-8,13H2,1-4H3,(H,24,26).
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide?
4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide has a molecular weight of 388.94 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylphenoxy)-N-[4-(diethylamino)phenyl]butanamide is sourced from PubChem (CID 19191158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).