methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate

C22H28ClNO4 — CID 70479804

IUPACmethyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(CC(C)NCC(OC)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H28ClNO4/c1-15(24-14-21(26-3)18-6-5-7-19(23)13-18)12-17-8-10-20(11-9-17)28-16(2)22(25)27-4/h5-11,13,15-16,21,24H,12,14H2,1-4H3
InChIKeyHVSLVBODNBCWMB-UHFFFAOYSA-N
MW405.92 g/mol
LogP4.19
Rot. Bonds10

About methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate

methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate (PubChem CID 70479804) has the molecular formula C22H28ClNO4 and a molecular weight of 405.92 g/mol. Its IUPAC name is methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate
PubChem CID70479804
Molecular FormulaC22H28ClNO4
Molecular Weight405.92 g/mol
Exact Mass405.17
IUPAC Namemethyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate
SMILESCOC(=O)C(C)Oc1ccc(CC(C)NCC(OC)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H28ClNO4/c1-15(24-14-21(26-3)18-6-5-7-19(23)13-18)12-17-8-10-20(11-9-17)28-16(2)22(25)27-4/h5-11,13,15-16,21,24H,12,14H2,1-4H3
InChIKeyHVSLVBODNBCWMB-UHFFFAOYSA-N
XLogP4.19
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.92
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate with MolForge

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Related Compounds

2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]-2-(dimethylamino)acetaldehyde
CID 88718978
N-[2-(3-chlorophenyl)-2-methoxyethyl]-1-[4-(methylaminomethyl)phenyl]propan-2-amine;dihydrochloride
CID 70458276
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]pentanoate
CID 139655941
(1R)-1-(3-chlorophenyl)-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethanol
CID 70005129
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate;hydrobromide
CID 6918146
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hexoxyethyl]amino]propyl]phenoxy]acetate
CID 54032734
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[3-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]propoxy]phenyl]propan-2-yl]amino]ethanol;hydrochloride
CID 44522840
(1R)-1-(3-chlorophenyl)-2-[[(2R)-1-[4-[2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenyl]ethyl]phenyl]propan-2-yl]amino]ethanol
CID 44522818
methyl (2R)-2-[4-(hydroxymethyl)phenoxy]propanoate
CID 103337931
methyl 5-[[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]methyl]furan-2-carboxylate
CID 19874519
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate?
The IUPAC name of methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate (CID 70479804) is methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate.
What is the SMILES notation for methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate?
The canonical SMILES for methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate is COC(=O)C(C)Oc1ccc(CC(C)NCC(OC)c2cccc(Cl)c2)cc1.
What is the InChIKey of methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate?
The InChIKey is HVSLVBODNBCWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO4/c1-15(24-14-21(26-3)18-6-5-7-19(23)13-18)12-17-8-10-20(11-9-17)28-16(2)22(25)27-4/h5-11,13,15-16,21,24H,12,14H2,1-4H3.
What are the key properties of methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate?
methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate has a molecular weight of 405.92 g/mol, XLogP of 4.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-methoxyethyl]amino]propyl]phenoxy]propanoate is sourced from PubChem (CID 70479804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).