methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate

C23H33N3O5 — CID 7619581

IUPACmethyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate
SMILESCOC(=O)CCCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)c1C
InChIInChI=1S/C23H33N3O5/c1-15-13-18(16(2)25(15)12-8-11-20(28)31-4)19(27)14-26-21(29)23(3,24-22(26)30)17-9-6-5-7-10-17/h13,17H,5-12,14H2,1-4H3,(H,24,30)/t23-/m1/s1
InChIKeyZBRIFDYUHPQCKH-HSZRJFAPSA-N
MW431.53 g/mol
LogP3.13
Rot. Bonds8

About methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate

methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate (PubChem CID 7619581) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate
PubChem CID7619581
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Namemethyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate
SMILESCOC(=O)CCCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)c1C
InChIInChI=1S/C23H33N3O5/c1-15-13-18(16(2)25(15)12-8-11-20(28)31-4)19(27)14-26-21(29)23(3,24-22(26)30)17-9-6-5-7-10-17/h13,17H,5-12,14H2,1-4H3,(H,24,30)/t23-/m1/s1
InChIKeyZBRIFDYUHPQCKH-HSZRJFAPSA-N
XLogP3.13
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 7619856
methyl 3-[3-[2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]propanoate
CID 7610723
(5R)-5-cyclohexyl-3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7619358
(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7618955
methyl 4-[2,5-dimethyl-3-[2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]pyrrol-1-yl]butanoate
CID 7757208
3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 84601822
methyl 4-[3-[2-(1,3-dioxoisoindol-2-yl)acetyl]-2,5-dimethylpyrrol-1-yl]butanoate
CID 7960058
(5R)-5-cyclopropyl-3-[2-[2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7873009
(5R)-5-cyclopropyl-3-[2-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 40819991
(5S,6S)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7265044
(5R)-5-(2,3-dihydro-1H-inden-5-yl)-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 7883965
3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266376

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate?
The IUPAC name of methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate (CID 7619581) is methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate.
What is the SMILES notation for methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate?
The canonical SMILES for methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate is COC(=O)CCCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)c1C.
What is the InChIKey of methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate?
The InChIKey is ZBRIFDYUHPQCKH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-15-13-18(16(2)25(15)12-8-11-20(28)31-4)19(27)14-26-21(29)23(3,24-22(26)30)17-9-6-5-7-10-17/h13,17H,5-12,14H2,1-4H3,(H,24,30)/t23-/m1/s1.
What are the key properties of methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate?
methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate has a molecular weight of 431.53 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-2,5-dimethylpyrrol-1-yl]butanoate is sourced from PubChem (CID 7619581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).