methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate

C20H24ClNO4 — CID 23185518

IUPACmethyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(C)NC(C)(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClNO4/c1-14(22-20(2,24)16-5-4-6-17(21)12-16)13-26-18-9-7-15(8-10-18)11-19(23)25-3/h4-10,12,14,22,24H,11,13H2,1-3H3
InChIKeyFQIDYHKFZKQAKR-UHFFFAOYSA-N
MW377.87 g/mol
LogP3.28
Rot. Bonds8

About methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate

methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate (PubChem CID 23185518) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate
PubChem CID23185518
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Namemethyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(C)NC(C)(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H24ClNO4/c1-14(22-20(2,24)16-5-4-6-17(21)12-16)13-26-18-9-7-15(8-10-18)11-19(23)25-3/h4-10,12,14,22,24H,11,13H2,1-3H3
InChIKeyFQIDYHKFZKQAKR-UHFFFAOYSA-N
XLogP3.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate with MolForge

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Related Compounds

methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
CID 22867083
methyl 2-[4-[(3R,4S)-4-amino-4-hydroxy-2,3-dimethyl-4-phenylbutoxy]phenyl]acetate
CID 151884472
2-(3-chlorophenyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 71862052
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propoxy]phenyl]acetate
CID 22873127
methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
CID 66098598
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 100767509
1-(3-chlorophenoxy)-N-methylpropan-2-amine
CID 112692970
methyl 2-[4-[2-[2-(3-chlorophenyl)ethylamino]propyl]phenoxy]acetate
CID 54061917
methyl 2-[4-[(2S)-2-morpholin-4-ylpropoxy]phenyl]acetate
CID 169157685
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 92538097

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate (CID 23185518) is methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC(C)NC(C)(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate?
The InChIKey is FQIDYHKFZKQAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-14(22-20(2,24)16-5-4-6-17(21)12-16)13-26-18-9-7-15(8-10-18)11-19(23)25-3/h4-10,12,14,22,24H,11,13H2,1-3H3.
What are the key properties of methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate?
methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate has a molecular weight of 377.87 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-[[1-(3-chlorophenyl)-1-hydroxyethyl]amino]propoxy]phenyl]acetate is sourced from PubChem (CID 23185518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).