2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride

C15H26Cl3N3O3 — CID 17293104

IUPAC2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride
SMILESCOc1cc(CNCCCN(C)C)cc(Cl)c1OCC(N)=O.Cl.Cl
InChIInChI=1S/C15H24ClN3O3.2ClH/c1-19(2)6-4-5-18-9-11-7-12(16)15(13(8-11)21-3)22-10-14(17)20;;/h7-8,18H,4-6,9-10H2,1-3H3,(H2,17,20);2*1H
InChIKeyQCRNDVPZHNSYFC-UHFFFAOYSA-N
MW402.75 g/mol
LogP2.10
Rot. Bonds10

About 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride

2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride (PubChem CID 17293104) has the molecular formula C15H26Cl3N3O3 and a molecular weight of 402.75 g/mol. Its IUPAC name is 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride
PubChem CID17293104
Molecular FormulaC15H26Cl3N3O3
Molecular Weight402.75 g/mol
Exact Mass401.10
IUPAC Name2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride
SMILESCOc1cc(CNCCCN(C)C)cc(Cl)c1OCC(N)=O.Cl.Cl
InChIInChI=1S/C15H24ClN3O3.2ClH/c1-19(2)6-4-5-18-9-11-7-12(16)15(13(8-11)21-3)22-10-14(17)20;;/h7-8,18H,4-6,9-10H2,1-3H3,(H2,17,20);2*1H
InChIKeyQCRNDVPZHNSYFC-UHFFFAOYSA-N
XLogP2.10
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.75
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4,5-dimethoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 4718954
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 29241800
2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328
2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxyphenyl]methylamino]-N-methylacetamide
CID 43214903
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-4-[[2-(diethylamino)ethylamino]methyl]-6-ethoxyphenoxy]acetamide;dihydrochloride
CID 17295349
2-[2-chloro-6-ethoxy-4-[[3-(methylamino)propylamino]methyl]phenoxy]acetamide
CID 4720831

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride?
The IUPAC name of 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride (CID 17293104) is 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride.
What is the SMILES notation for 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride?
The canonical SMILES for 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride is COc1cc(CNCCCN(C)C)cc(Cl)c1OCC(N)=O.Cl.Cl.
What is the InChIKey of 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride?
The InChIKey is QCRNDVPZHNSYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O3.2ClH/c1-19(2)6-4-5-18-9-11-7-12(16)15(13(8-11)21-3)22-10-14(17)20;;/h7-8,18H,4-6,9-10H2,1-3H3,(H2,17,20);2*1H.
What are the key properties of 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride?
2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride has a molecular weight of 402.75 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[[3-(dimethylamino)propylamino]methyl]-6-methoxyphenoxy]acetamide;dihydrochloride is sourced from PubChem (CID 17293104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).