[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

C20H32N3O2+ — CID 8996249

IUPAC[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESCC(C)Cc1ccc([C@H]([NH2+][C@H](C)C(=O)N2CCNC2=O)C(C)C)cc1
InChIInChI=1S/C20H31N3O2/c1-13(2)12-16-6-8-17(9-7-16)18(14(3)4)22-15(5)19(24)23-11-10-21-20(23)25/h6-9,13-15,18,22H,10-12H2,1-5H3,(H,21,25)/p+1/t15-,18-/m1/s1
InChIKeyQSTHVXHWEQXJHQ-CRAIPNDOSA-O
MW346.50 g/mol
LogP2.09
Rot. Bonds7

About [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (PubChem CID 8996249) has the molecular formula C20H32N3O2+ and a molecular weight of 346.50 g/mol. Its IUPAC name is [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
PubChem CID8996249
Molecular FormulaC20H32N3O2+
Molecular Weight346.50 g/mol
Exact Mass346.25
IUPAC Name[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESCC(C)Cc1ccc([C@H]([NH2+][C@H](C)C(=O)N2CCNC2=O)C(C)C)cc1
InChIInChI=1S/C20H31N3O2/c1-13(2)12-16-6-8-17(9-7-16)18(14(3)4)22-15(5)19(24)23-11-10-21-20(23)25/h6-9,13-15,18,22H,10-12H2,1-5H3,(H,21,25)/p+1/t15-,18-/m1/s1
InChIKeyQSTHVXHWEQXJHQ-CRAIPNDOSA-O
XLogP2.09
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996150
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996028
[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8830957
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]azanium
CID 8998344
(4-ethylphenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8794536
(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8541172
1-[(2R)-2-[(4-chlorophenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8541173
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
[(1R)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8639875
2-amino-2-[4-(2-methylpropyl)phenyl]-1-pyrrolidin-1-ylethanone
CID 116851302
1-[(2S)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanoyl]imidazolidin-2-one
CID 8595959

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The IUPAC name of [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (CID 8996249) is [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.
What is the SMILES notation for [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The canonical SMILES for [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is CC(C)Cc1ccc([C@H]([NH2+][C@H](C)C(=O)N2CCNC2=O)C(C)C)cc1.
What is the InChIKey of [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The InChIKey is QSTHVXHWEQXJHQ-CRAIPNDOSA-O. The full InChI is InChI=1S/C20H31N3O2/c1-13(2)12-16-6-8-17(9-7-16)18(14(3)4)22-15(5)19(24)23-11-10-21-20(23)25/h6-9,13-15,18,22H,10-12H2,1-5H3,(H,21,25)/p+1/t15-,18-/m1/s1.
What are the key properties of [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium has a molecular weight of 346.50 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 8996249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).