2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

C16H22Cl2N2O3 — CID 113160075

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCOCCCN(CC(=O)NCCc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C16H22Cl2N2O3/c1-12(21)20(8-3-9-23-2)11-16(22)19-7-6-13-4-5-14(17)10-15(13)18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,22)
InChIKeyKWVFLFBLRQROHK-UHFFFAOYSA-N
MW361.27 g/mol
LogP2.54
Rot. Bonds9

About 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide

2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 113160075) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID113160075
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESCOCCCN(CC(=O)NCCc1ccc(Cl)cc1Cl)C(C)=O
InChIInChI=1S/C16H22Cl2N2O3/c1-12(21)20(8-3-9-23-2)11-16(22)19-7-6-13-4-5-14(17)10-15(13)18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,22)
InChIKeyKWVFLFBLRQROHK-UHFFFAOYSA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113160021
N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
CID 109006595
N-[2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]ethyl]propanamide
CID 113057117
2-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113167057
2-(N-acetyl-4-methylanilino)-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113167737
1-N'-[2-(2,4-dichlorophenyl)ethyl]-1-N-(3-methoxypropyl)cyclopropane-1,1-dicarboxamide
CID 108972921
3-[acetyl(3-methoxypropyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113117231
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113158667
2-[acetyl-[(2-chlorophenyl)methyl]amino]-N-(3-methoxypropyl)acetamide
CID 113162526

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (CID 113160075) is 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is COCCCN(CC(=O)NCCc1ccc(Cl)cc1Cl)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is KWVFLFBLRQROHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c1-12(21)20(8-3-9-23-2)11-16(22)19-7-6-13-4-5-14(17)10-15(13)18/h4-5,10H,3,6-9,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 361.27 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 113160075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).