2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide

C20H25ClN2O5 — CID 4716345

IUPAC2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1ccc(CCNCc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1OC
InChIInChI=1S/C20H25ClN2O5/c1-25-16-5-4-13(9-17(16)26-2)6-7-23-11-14-8-15(21)20(18(10-14)27-3)28-12-19(22)24/h4-5,8-10,23H,6-7,11-12H2,1-3H3,(H2,22,24)
InChIKeyWPACXOXMVUNTIN-UHFFFAOYSA-N
MW408.88 g/mol
LogP2.56
Rot. Bonds11

About 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide

2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide (PubChem CID 4716345) has the molecular formula C20H25ClN2O5 and a molecular weight of 408.88 g/mol. Its IUPAC name is 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
PubChem CID4716345
Molecular FormulaC20H25ClN2O5
Molecular Weight408.88 g/mol
Exact Mass408.15
IUPAC Name2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
SMILESCOc1ccc(CCNCc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1OC
InChIInChI=1S/C20H25ClN2O5/c1-25-16-5-4-13(9-17(16)26-2)6-7-23-11-14-8-15(21)20(18(10-14)27-3)28-12-19(22)24/h4-5,8-10,23H,6-7,11-12H2,1-3H3,(H2,22,24)
InChIKeyWPACXOXMVUNTIN-UHFFFAOYSA-N
XLogP2.56
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-chloro-4-[[2-(3-fluorophenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 35607506
N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 4717465
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride
CID 17293104
N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-(3,4-dimethoxyphenyl)ethanamine;hydrochloride
CID 17292155
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[2-chloro-4-[(cyclobutylmethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 43298481
2-[2-chloro-6-ethoxy-4-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenoxy]acetamide
CID 4718653

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide (CID 4716345) is 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide is COc1ccc(CCNCc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1OC.
What is the InChIKey of 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide?
The InChIKey is WPACXOXMVUNTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5/c1-25-16-5-4-13(9-17(16)26-2)6-7-23-11-14-8-15(21)20(18(10-14)27-3)28-12-19(22)24/h4-5,8-10,23H,6-7,11-12H2,1-3H3,(H2,22,24).
What are the key properties of 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide?
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide has a molecular weight of 408.88 g/mol, XLogP of 2.56, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 4716345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).