[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium

C18H31N2O+ — CID 8996150

IUPAC[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
SMILESCNC(=O)[C@H](C)[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-12(2)11-15-7-9-16(10-8-15)17(13(3)4)20-14(5)18(21)19-6/h7-10,12-14,17,20H,11H2,1-6H3,(H,19,21)/p+1/t14-,17+/m0/s1
InChIKeyNJEROUUTHVHPDE-WMLDXEAASA-O
MW291.46 g/mol
LogP2.28
Rot. Bonds7

About [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium

[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium (PubChem CID 8996150) has the molecular formula C18H31N2O+ and a molecular weight of 291.46 g/mol. Its IUPAC name is [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
PubChem CID8996150
Molecular FormulaC18H31N2O+
Molecular Weight291.46 g/mol
Exact Mass291.24
IUPAC Name[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
SMILESCNC(=O)[C@H](C)[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C18H30N2O/c1-12(2)11-15-7-9-16(10-8-15)17(13(3)4)20-14(5)18(21)19-6/h7-10,12-14,17,20H,11H2,1-6H3,(H,19,21)/p+1/t14-,17+/m0/s1
InChIKeyNJEROUUTHVHPDE-WMLDXEAASA-O
XLogP2.28
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium with MolForge

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Related Compounds

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996028
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(2R)-1-(methylamino)-1-oxopropan-2-yl]azanium
CID 9129711
[(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-(4-acetamidoanilino)-1-oxopropan-2-yl]-[(1S)-2-methyl-1-(4-propylphenyl)propyl]azanium
CID 8970393
N,2-bis[4-(2-methylpropyl)phenyl]propanamide
CID 3436173
[(1S)-1-(4-butylphenyl)-2-methylpropyl]-[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl]azanium
CID 8998517
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 9129750
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8992353
2-amino-3-methyl-N-[1-[4-(2-methylpropyl)phenyl]ethyl]butanamide;hydrochloride
CID 119267840
(2R)-N-[3-(methylamino)propyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11482780
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996254
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
The IUPAC name of [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium (CID 8996150) is [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium.
What is the SMILES notation for [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
The canonical SMILES for [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium is CNC(=O)[C@H](C)[NH2+][C@@H](c1ccc(CC(C)C)cc1)C(C)C.
What is the InChIKey of [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
The InChIKey is NJEROUUTHVHPDE-WMLDXEAASA-O. The full InChI is InChI=1S/C18H30N2O/c1-12(2)11-15-7-9-16(10-8-15)17(13(3)4)20-14(5)18(21)19-6/h7-10,12-14,17,20H,11H2,1-6H3,(H,19,21)/p+1/t14-,17+/m0/s1.
What are the key properties of [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium?
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium has a molecular weight of 291.46 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium is sourced from PubChem (CID 8996150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).