2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C28H39N3O2 — CID 25190995

IUPAC2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCC1(CC)CN(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C28H39N3O2/c1-8-28(9-2)18-30(27(33)31(28)22-15-13-21(7)14-16-22)17-25(32)29-26-23(19(3)4)11-10-12-24(26)20(5)6/h10-16,19-20H,8-9,17-18H2,1-7H3,(H,29,32)
InChIKeyQHMLMGPROWBRBK-UHFFFAOYSA-N
MW449.64 g/mol
LogP6.68
Rot. Bonds8

About 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 25190995) has the molecular formula C28H39N3O2 and a molecular weight of 449.64 g/mol. Its IUPAC name is 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID25190995
Molecular FormulaC28H39N3O2
Molecular Weight449.64 g/mol
Exact Mass449.30
IUPAC Name2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCCC1(CC)CN(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C28H39N3O2/c1-8-28(9-2)18-30(27(33)31(28)22-15-13-21(7)14-16-22)17-25(32)29-26-23(19(3)4)11-10-12-24(26)20(5)6/h10-16,19-20H,8-9,17-18H2,1-7H3,(H,29,32)
InChIKeyQHMLMGPROWBRBK-UHFFFAOYSA-N
XLogP6.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.64
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[1-(4-fluorophenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 25224731
2-[1-(4-butylphenyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 25227339
N-[2,6-di(propan-2-yl)phenyl]-2-[1-(1-hydroxybutyl)-2-oxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 68630626
2-[8-benzoyl-1-(4-methylphenyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46892741
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8583845
2-[4,4-diethyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]-2-phenylacetamide
CID 68638695
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
ethyl 4-[3-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2,4-dioxo-1,3-diazaspiro[4.5]decan-1-yl]benzoate
CID 46892481
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272767
N-[2,6-di(propan-2-yl)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2660949
2-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 91829375

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 25190995) is 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CCC1(CC)CN(CC(=O)Nc2c(C(C)C)cccc2C(C)C)C(=O)N1c1ccc(C)cc1.
What is the InChIKey of 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is QHMLMGPROWBRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O2/c1-8-28(9-2)18-30(27(33)31(28)22-15-13-21(7)14-16-22)17-25(32)29-26-23(19(3)4)11-10-12-24(26)20(5)6/h10-16,19-20H,8-9,17-18H2,1-7H3,(H,29,32).
What are the key properties of 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 449.64 g/mol, XLogP of 6.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-diethyl-3-(4-methylphenyl)-2-oxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 25190995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).