1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one

C22H26Cl2N2O3 — CID 17211934

IUPAC1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
SMILESCOc1cccc(CNCCCN2CCCC2=O)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H26Cl2N2O3/c1-28-20-6-2-5-16(14-25-10-4-12-26-11-3-7-21(26)27)22(20)29-15-17-8-9-18(23)13-19(17)24/h2,5-6,8-9,13,25H,3-4,7,10-12,14-15H2,1H3
InChIKeyCXXXCSPCXLBWGL-UHFFFAOYSA-N
MW437.37 g/mol
LogP4.68
Rot. Bonds10

About 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one

1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one (PubChem CID 17211934) has the molecular formula C22H26Cl2N2O3 and a molecular weight of 437.37 g/mol. Its IUPAC name is 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
PubChem CID17211934
Molecular FormulaC22H26Cl2N2O3
Molecular Weight437.37 g/mol
Exact Mass436.13
IUPAC Name1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
SMILESCOc1cccc(CNCCCN2CCCC2=O)c1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H26Cl2N2O3/c1-28-20-6-2-5-16(14-25-10-4-12-26-11-3-7-21(26)27)22(20)29-15-17-8-9-18(23)13-19(17)24/h2,5-6,8-9,13,25H,3-4,7,10-12,14-15H2,1H3
InChIKeyCXXXCSPCXLBWGL-UHFFFAOYSA-N
XLogP4.68
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.37
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212265
1-[3-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211958
1-[3-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211926
1-[3-[(2,4-dichlorophenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211943
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine
CID 4716879
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214062
1-[3-[(3,5-dichloro-2-methoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 17212153
3-butoxy-N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 17207603
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-amine
CID 4725145
1-[3-[(5-chloro-2-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17212076
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289861
1-[3-[(2-chloro-5-methoxy-4-propoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 66530925

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one (CID 17211934) is 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one is COc1cccc(CNCCCN2CCCC2=O)c1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one?
The InChIKey is CXXXCSPCXLBWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O3/c1-28-20-6-2-5-16(14-25-10-4-12-26-11-3-7-21(26)27)22(20)29-15-17-8-9-18(23)13-19(17)24/h2,5-6,8-9,13,25H,3-4,7,10-12,14-15H2,1H3.
What are the key properties of 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one?
1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one has a molecular weight of 437.37 g/mol, XLogP of 4.68, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 17211934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).