2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide

C19H22ClNO2 — CID 133164501

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCC(C)c2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-13-9-17(10-14(2)19(13)20)23-12-18(22)21-11-15(3)16-7-5-4-6-8-16/h4-10,15H,11-12H2,1-3H3,(H,21,22)
InChIKeyRXZOSMLVMYEADQ-UHFFFAOYSA-N
MW331.84 g/mol
LogP4.26
Rot. Bonds6

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide (PubChem CID 133164501) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
PubChem CID133164501
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
SMILESCc1cc(OCC(=O)NCC(C)c2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H22ClNO2/c1-13-9-17(10-14(2)19(13)20)23-12-18(22)21-11-15(3)16-7-5-4-6-8-16/h4-10,15H,11-12H2,1-3H3,(H,21,22)
InChIKeyRXZOSMLVMYEADQ-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
2-(3-chloro-4-fluorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 8579822
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7809627
methyl 4-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethoxy]benzoate
CID 7667328
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]acetamide
CID 43843181
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7167691
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021089
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide
CID 86992179
2-(7-methoxynaphthalen-2-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7652508
(2R)-2-[2-oxo-2-(2-phenylpropylamino)ethoxy]propanoic acid
CID 104875498

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide (CID 133164501) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide is Cc1cc(OCC(=O)NCC(C)c2ccccc2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide?
The InChIKey is RXZOSMLVMYEADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13-9-17(10-14(2)19(13)20)23-12-18(22)21-11-15(3)16-7-5-4-6-8-16/h4-10,15H,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide has a molecular weight of 331.84 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 133164501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).