2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide

C20H23ClN2O3 — CID 108572637

IUPAC2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H23ClN2O3/c1-14-3-8-18(11-15(14)2)26-13-20(25)23-10-9-22-19(24)12-16-4-6-17(21)7-5-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIKQHVWMXSNKCJC-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.81
Rot. Bonds8

About 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide (PubChem CID 108572637) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
PubChem CID108572637
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C20H23ClN2O3/c1-14-3-8-18(11-15(14)2)26-13-20(25)23-10-9-22-19(24)12-16-4-6-17(21)7-5-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyIKQHVWMXSNKCJC-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108572656
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 36904254
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 8751680
2-chloroethyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572652
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572636
N-[2-(4-chlorophenyl)ethyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978044

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide (CID 108572637) is 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide is Cc1ccc(OCC(=O)NCCNC(=O)Cc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide?
The InChIKey is IKQHVWMXSNKCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-3-8-18(11-15(14)2)26-13-20(25)23-10-9-22-19(24)12-16-4-6-17(21)7-5-16/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide is sourced from PubChem (CID 108572637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).