butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C23H26N2O4 — CID 8673066

IUPACbutyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCCCCOC(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H26N2O4/c1-4-5-13-29-20(26)15-25-21(27)23(24-22(25)28,18-9-7-6-8-10-18)19-12-11-16(2)17(3)14-19/h6-12,14H,4-5,13,15H2,1-3H3,(H,24,28)/t23-/m0/s1
InChIKeySXNNURPMFVWBQO-QHCPKHFHSA-N
MW394.47 g/mol
LogP3.44
Rot. Bonds7

About butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 8673066) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Namebutyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID8673066
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namebutyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCCCCOC(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O
InChIInChI=1S/C23H26N2O4/c1-4-5-13-29-20(26)15-25-21(27)23(24-22(25)28,18-9-7-6-8-10-18)19-12-11-16(2)17(3)14-19/h6-12,14H,4-5,13,15H2,1-3H3,(H,24,28)/t23-/m0/s1
InChIKeySXNNURPMFVWBQO-QHCPKHFHSA-N
XLogP3.44
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 8673028
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8673076
N-(3,5-dimethoxyphenyl)-2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 32926545
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 42921307
(5S)-5-(3,4-dimethylphenyl)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41061049
5-(3,4-dimethylphenyl)-3-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 154775292
3-[[2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 33097653
(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673055
(5S)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673056
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-ethoxyphenoxy)ethyl]acetamide
CID 27926091

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 8673066) is butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is CCCCOC(=O)CN1C(=O)N[C@@](c2ccccc2)(c2ccc(C)c(C)c2)C1=O.
What is the InChIKey of butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is SXNNURPMFVWBQO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-5-13-29-20(26)15-25-21(27)23(24-22(25)28,18-9-7-6-8-10-18)19-12-11-16(2)17(3)14-19/h6-12,14H,4-5,13,15H2,1-3H3,(H,24,28)/t23-/m0/s1.
What are the key properties of butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 394.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 8673066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).