N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide

C19H22ClNO2 — CID 113103062

IUPACN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1cc(OCCNC(=O)CCc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-14-12-17(13-15(2)19(14)20)23-11-10-21-18(22)9-8-16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyWZBHGXXAVXIXCU-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.08
Rot. Bonds7

About N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide

N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide (PubChem CID 113103062) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide
PubChem CID113103062
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC NameN-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide
SMILESCc1cc(OCCNC(=O)CCc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-14-12-17(13-15(2)19(14)20)23-11-10-21-18(22)9-8-16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3,(H,21,22)
InChIKeyWZBHGXXAVXIXCU-UHFFFAOYSA-N
XLogP4.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]butanamide
CID 113103032
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropanamide
CID 600522
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-(4-fluorophenyl)acetamide
CID 113103060
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
3-[4-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]phenyl]propanoic acid
CID 20986745
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151
N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)ethanamine
CID 39394396
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-4-phenylpiperazine-1-carboxamide
CID 112977176
3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 46679754
6-chloro-3-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-N-[2-(3-phenylpropanoylamino)ethylsulfonyl]-1H-indole-2-carboxamide
CID 118521920

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide (CID 113103062) is N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide is Cc1cc(OCCNC(=O)CCc2ccccc2)cc(C)c1Cl.
What is the InChIKey of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide?
The InChIKey is WZBHGXXAVXIXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-14-12-17(13-15(2)19(14)20)23-11-10-21-18(22)9-8-16-6-4-3-5-7-16/h3-7,12-13H,8-11H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide?
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide has a molecular weight of 331.84 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 113103062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).