methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium

C16H24N3O2+ — CID 9028478

IUPACmethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)CC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C16H23N3O2/c1-12(2)14-6-4-13(5-7-14)10-18(3)11-15(20)19-9-8-17-16(19)21/h4-7,12H,8-11H2,1-3H3,(H,17,21)/p+1
InChIKeyWVCZGMLAZUWZOY-UHFFFAOYSA-O
MW290.39 g/mol
LogP0.38
Rot. Bonds5

About methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium

methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium (PubChem CID 9028478) has the molecular formula C16H24N3O2+ and a molecular weight of 290.39 g/mol. Its IUPAC name is methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium
PubChem CID9028478
Molecular FormulaC16H24N3O2+
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Namemethyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium
SMILESCC(C)c1ccc(C[NH+](C)CC(=O)N2CCNC2=O)cc1
InChIInChI=1S/C16H23N3O2/c1-12(2)14-6-4-13(5-7-14)10-18(3)11-15(20)19-9-8-17-16(19)21/h4-7,12H,8-11H2,1-3H3,(H,17,21)/p+1
InChIKeyWVCZGMLAZUWZOY-UHFFFAOYSA-O
XLogP0.38
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9057785
(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8541172
(4-ethylphenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8794536
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 30820093
1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
CID 94217685
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 8592107
1-[2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetyl]imidazolidin-2-one
CID 20930010
1-[2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]acetyl]imidazolidin-2-one
CID 8970835
(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8695189
ethyl-[(3-fluoro-4-methoxyphenyl)methyl]-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
CID 9349421
[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8996249
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998344

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The IUPAC name of methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium (CID 9028478) is methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium is CC(C)c1ccc(C[NH+](C)CC(=O)N2CCNC2=O)cc1.
What is the InChIKey of methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
The InChIKey is WVCZGMLAZUWZOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)14-6-4-13(5-7-14)10-18(3)11-15(20)19-9-8-17-16(19)21/h4-7,12H,8-11H2,1-3H3,(H,17,21)/p+1.
What are the key properties of methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium?
methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium has a molecular weight of 290.39 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium is sourced from PubChem (CID 9028478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).