4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide

C20H24ClNO2 — CID 132652702

IUPAC4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
SMILESCc1ccc(C(C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H24ClNO2/c1-14-6-7-17(13-15(14)2)16(3)22-20(23)5-4-12-24-19-10-8-18(21)9-11-19/h6-11,13,16H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyYPKKMBOWDCJNRJ-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.99
Rot. Bonds7

About 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide

4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide (PubChem CID 132652702) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
PubChem CID132652702
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide
SMILESCc1ccc(C(C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H24ClNO2/c1-14-6-7-17(13-15(14)2)16(3)22-20(23)5-4-12-24-19-10-8-18(21)9-11-19/h6-11,13,16H,4-5,12H2,1-3H3,(H,22,23)
InChIKeyYPKKMBOWDCJNRJ-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.99
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

[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750488
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
3-(4-chlorophenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]propanamide
CID 51947174
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 9335310
4-(4-acetylphenoxy)-N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 78778582
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
4-(4-chlorophenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 100502725
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
CID 132652069
3-(2,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 100608718
2-(3,4-difluorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 24608166
N-[1-(4-chlorophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119685501
5-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]pentanamide
CID 81352741

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide (CID 132652702) is 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide is Cc1ccc(C(C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide?
The InChIKey is YPKKMBOWDCJNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-14-6-7-17(13-15(14)2)16(3)22-20(23)5-4-12-24-19-10-8-18(21)9-11-19/h6-11,13,16H,4-5,12H2,1-3H3,(H,22,23).
What are the key properties of 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide?
4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide has a molecular weight of 345.87 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 132652702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).