methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate

C25H32N2O6 — CID 155169840

IUPACmethyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate
SMILESCCCCCOc1cc(N2CCN(Cc3ccc(C(=O)OC)cc3OC)C2=O)ccc1OC
InChIInChI=1S/C25H32N2O6/c1-5-6-7-14-33-23-16-20(10-11-21(23)30-2)27-13-12-26(25(27)29)17-19-9-8-18(24(28)32-4)15-22(19)31-3/h8-11,15-16H,5-7,12-14,17H2,1-4H3
InChIKeyPNQAVFPZMLDCGM-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.50
Rot. Bonds11

About methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate

methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate (PubChem CID 155169840) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate
PubChem CID155169840
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Namemethyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate
SMILESCCCCCOc1cc(N2CCN(Cc3ccc(C(=O)OC)cc3OC)C2=O)ccc1OC
InChIInChI=1S/C25H32N2O6/c1-5-6-7-14-33-23-16-20(10-11-21(23)30-2)27-13-12-26(25(27)29)17-19-9-8-18(24(28)32-4)15-22(19)31-3/h8-11,15-16H,5-7,12-14,17H2,1-4H3
InChIKeyPNQAVFPZMLDCGM-UHFFFAOYSA-N
XLogP4.50
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate with MolForge

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Related Compounds

3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]benzonitrile
CID 155170068
[2-hydroxy-2-[3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]phenyl]ethyl]carbamic acid
CID 155170041
2-[3-ethyl-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxo-1,3-diazinan-1-yl]methyl]phenyl]acetic acid
CID 155704476
1-[[1-(2-amino-2-methylpropyl)-3-chloropyrrolo[2,3-b]pyridin-4-yl]methyl]-3-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one
CID 155170024
methyl 3-(4-bromobutoxy)-4-methoxybenzoate
CID 168958426
1-(4-methoxy-3-pentoxyphenyl)-1,3-diazinan-2-one
CID 155170069
4-methoxy-3-pentoxybenzamide
CID 82041442
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 4-amino-3-octoxybenzoate
CID 15434652
methyl 4-amino-3-nonoxybenzoate
CID 43380216
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate (CID 155169840) is methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate is CCCCCOc1cc(N2CCN(Cc3ccc(C(=O)OC)cc3OC)C2=O)ccc1OC.
What is the InChIKey of methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate?
The InChIKey is PNQAVFPZMLDCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/c1-5-6-7-14-33-23-16-20(10-11-21(23)30-2)27-13-12-26(25(27)29)17-19-9-8-18(24(28)32-4)15-22(19)31-3/h8-11,15-16H,5-7,12-14,17H2,1-4H3.
What are the key properties of methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate?
methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate has a molecular weight of 456.54 g/mol, XLogP of 4.50, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-4-[[3-(4-methoxy-3-pentoxyphenyl)-2-oxoimidazolidin-1-yl]methyl]benzoate is sourced from PubChem (CID 155169840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).