2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide

C19H22ClNO2 — CID 132651553

IUPAC2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(Cl)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-4-18(15-6-5-13(2)14(3)11-15)21-19(22)12-23-17-9-7-16(20)8-10-17/h5-11,18H,4,12H2,1-3H3,(H,21,22)
InChIKeyUVKGZPYAEDFNDL-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.60
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide

2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide (PubChem CID 132651553) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
PubChem CID132651553
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
SMILESCCC(NC(=O)COc1ccc(Cl)cc1)c1ccc(C)c(C)c1
InChIInChI=1S/C19H22ClNO2/c1-4-18(15-6-5-13(2)14(3)11-15)21-19(22)12-23-17-9-7-16(20)8-10-17/h5-11,18H,4,12H2,1-3H3,(H,21,22)
InChIKeyUVKGZPYAEDFNDL-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
2-(4-chlorophenoxy)-N-[(1S)-1-phenylpropyl]acetamide
CID 30399638
2-(4-acetylphenoxy)-N-[1-(4-chlorophenyl)propyl]acetamide
CID 51318364
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]butanamide
CID 132654231
2-(4-chloro-2-fluorophenyl)-N-[1-(3,4-dimethylphenyl)propyl]acetamide
CID 133161430
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750488
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7794652
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methylphenoxy)butanamide
CID 132652069
2-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133162635
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]acetamide
CID 17328371

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide (CID 132651553) is 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide is CCC(NC(=O)COc1ccc(Cl)cc1)c1ccc(C)c(C)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide?
The InChIKey is UVKGZPYAEDFNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-4-18(15-6-5-13(2)14(3)11-15)21-19(22)12-23-17-9-7-16(20)8-10-17/h5-11,18H,4,12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide?
2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide has a molecular weight of 331.84 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-(3,4-dimethylphenyl)propyl]acetamide is sourced from PubChem (CID 132651553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).