2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid

C29H40N2O4 — CID 10288841

IUPAC2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid
SMILESCCCN1C(=O)N(Cc2ccc(C)c(C)c2)CC1(C)CCCc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C29H40N2O4/c1-7-17-31-27(34)30(19-24-11-10-21(2)22(3)18-24)20-29(31,6)16-8-9-23-12-14-25(15-13-23)35-28(4,5)26(32)33/h10-15,18H,7-9,16-17,19-20H2,1-6H3,(H,32,33)
InChIKeyHMEXGBPATQMYQH-UHFFFAOYSA-N
MW480.65 g/mol
LogP5.97
Rot. Bonds11

About 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid

2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid (PubChem CID 10288841) has the molecular formula C29H40N2O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid
PubChem CID10288841
Molecular FormulaC29H40N2O4
Molecular Weight480.65 g/mol
Exact Mass480.30
IUPAC Name2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid
SMILESCCCN1C(=O)N(Cc2ccc(C)c(C)c2)CC1(C)CCCc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C29H40N2O4/c1-7-17-31-27(34)30(19-24-11-10-21(2)22(3)18-24)20-29(31,6)16-8-9-23-12-14-25(15-13-23)35-28(4,5)26(32)33/h10-15,18H,7-9,16-17,19-20H2,1-6H3,(H,32,33)
InChIKeyHMEXGBPATQMYQH-UHFFFAOYSA-N
XLogP5.97
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid (CID 10288841) is 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid is CCCN1C(=O)N(Cc2ccc(C)c(C)c2)CC1(C)CCCc1ccc(OC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid?
The InChIKey is HMEXGBPATQMYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N2O4/c1-7-17-31-27(34)30(19-24-11-10-21(2)22(3)18-24)20-29(31,6)16-8-9-23-12-14-25(15-13-23)35-28(4,5)26(32)33/h10-15,18H,7-9,16-17,19-20H2,1-6H3,(H,32,33).
What are the key properties of 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid?
2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid has a molecular weight of 480.65 g/mol, XLogP of 5.97, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[1-[(3,4-dimethylphenyl)methyl]-4-methyl-2-oxo-3-propylimidazolidin-4-yl]propyl]phenoxy]-2-methylpropanoic acid is sourced from PubChem (CID 10288841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).