methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate

C28H33NO6 — CID 71739856

IUPACmethyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate
SMILESCOC(=O)CCNCCOC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C28H33NO6/c1-31-24-11-5-21(6-12-24)28(22-7-13-25(32-2)14-8-22,23-9-15-26(33-3)16-10-23)35-20-19-29-18-17-27(30)34-4/h5-16,29H,17-20H2,1-4H3
InChIKeyVPAHDSPAJKLJRN-UHFFFAOYSA-N
MW479.57 g/mol
LogP4.17
Rot. Bonds13

About methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate

methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate (PubChem CID 71739856) has the molecular formula C28H33NO6 and a molecular weight of 479.57 g/mol. Its IUPAC name is methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate
PubChem CID71739856
Molecular FormulaC28H33NO6
Molecular Weight479.57 g/mol
Exact Mass479.23
IUPAC Namemethyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate
SMILESCOC(=O)CCNCCOC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C28H33NO6/c1-31-24-11-5-21(6-12-24)28(22-7-13-25(32-2)14-8-22,23-9-15-26(33-3)16-10-23)35-20-19-29-18-17-27(30)34-4/h5-16,29H,17-20H2,1-4H3
InChIKeyVPAHDSPAJKLJRN-UHFFFAOYSA-N
XLogP4.17
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoic acid
CID 71739591
methyl 4,4-bis(4-methoxyphenyl)pentanoate
CID 118933680
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
methyl 5-trityloxypentanoate
CID 171841896
12-[bis(4-methoxyphenyl)-phenylmethoxy]dodecanamide
CID 141366713
4-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 18974823
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
4-amino-3-[2-[tris(4-methoxyphenyl)methoxy]ethoxy]butanoic acid
CID 146036636
S-(4-formylphenyl) 4-[bis(4-methoxyphenyl)-phenylmethoxy]butanethioate
CID 23508707
methyl 3-[4-(4-tert-butylphenoxy)butanoylamino]propanoate
CID 78773025

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate?
The IUPAC name of methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate (CID 71739856) is methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate.
What is the SMILES notation for methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate?
The canonical SMILES for methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate is COC(=O)CCNCCOC(c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate?
The InChIKey is VPAHDSPAJKLJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO6/c1-31-24-11-5-21(6-12-24)28(22-7-13-25(32-2)14-8-22,23-9-15-26(33-3)16-10-23)35-20-19-29-18-17-27(30)34-4/h5-16,29H,17-20H2,1-4H3.
What are the key properties of methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate?
methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate has a molecular weight of 479.57 g/mol, XLogP of 4.17, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[tris(4-methoxyphenyl)methoxy]ethylamino]propanoate is sourced from PubChem (CID 71739856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).