N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide

C22H31N3O3 — CID 87022719

IUPACN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C22H31N3O3/c1-14-10-16(22(3,4)5)11-15(2)18(14)8-9-23-19(26)12-25-20(27)13-24(21(25)28)17-6-7-17/h10-11,17H,6-9,12-13H2,1-5H3,(H,23,26)
InChIKeyPSKMLAFRBAROHQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.69
Rot. Bonds6

About N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 87022719) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID87022719
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C(=O)CN(C2CC2)C1=O
InChIInChI=1S/C22H31N3O3/c1-14-10-16(22(3,4)5)11-15(2)18(14)8-9-23-19(26)12-25-20(27)13-24(21(25)28)17-6-7-17/h10-11,17H,6-9,12-13H2,1-5H3,(H,23,26)
InChIKeyPSKMLAFRBAROHQ-UHFFFAOYSA-N
XLogP2.69
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 45351822
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 87022512
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 31284210
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 87022837
N-cyclopropyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022402
1-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121575
N-cyclohexyl-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022438
N-[1-(4-bromophenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022636
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 87022436
N-(2-chlorophenyl)-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 87022378
2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 87022626
1-cyclopropyl-3-phenacylimidazolidine-2,4-dione
CID 87022456

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 87022719) is N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide is Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CN1C(=O)CN(C2CC2)C1=O.
What is the InChIKey of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is PSKMLAFRBAROHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-14-10-16(22(3,4)5)11-15(2)18(14)8-9-23-19(26)12-25-20(27)13-24(21(25)28)17-6-7-17/h10-11,17H,6-9,12-13H2,1-5H3,(H,23,26).
What are the key properties of N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-(3-cyclopropyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 87022719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).