[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

C24H33N2O+ — CID 8923718

IUPAC[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCC(C)c1ccc([C@H]([NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H32N2O/c1-16(2)18-10-12-20(13-11-18)22(17(3)4)26-23(19-8-6-5-7-9-19)24(27)25-21-14-15-21/h5-13,16-17,21-23,26H,14-15H2,1-4H3,(H,25,27)/p+1/t22-,23+/m1/s1
InChIKeyQUFNXCDBOXFQJE-PKTZIBPZSA-O
MW365.54 g/mol
LogP4.09
Rot. Bonds8

About [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium

[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium (PubChem CID 8923718) has the molecular formula C24H33N2O+ and a molecular weight of 365.54 g/mol. Its IUPAC name is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
PubChem CID8923718
Molecular FormulaC24H33N2O+
Molecular Weight365.54 g/mol
Exact Mass365.26
IUPAC Name[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
SMILESCC(C)c1ccc([C@H]([NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C24H32N2O/c1-16(2)18-10-12-20(13-11-18)22(17(3)4)26-23(19-8-6-5-7-9-19)24(27)25-21-14-15-21/h5-13,16-17,21-23,26H,14-15H2,1-4H3,(H,25,27)/p+1/t22-,23+/m1/s1
InChIKeyQUFNXCDBOXFQJE-PKTZIBPZSA-O
XLogP4.09
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium with MolForge

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Related Compounds

[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]azanium
CID 9129610
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 9129688
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640171
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]azanium
CID 9052568
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8992353
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8756137
4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
N-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 55251616
(2S)-2-(benzhydrylamino)-N-cyclopropylpropanamide
CID 7614348
N-cyclopropyl-2-(1-phenylethylamino)propanamide
CID 43085781
(2R)-N-cyclopropyl-2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-phenylacetamide
CID 8916196
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1S,2R)-2-methylcyclohexyl]azanium
CID 8644729

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The IUPAC name of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium (CID 8923718) is [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium.
What is the SMILES notation for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The canonical SMILES for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium is CC(C)c1ccc([C@H]([NH2+][C@H](C(=O)NC2CC2)c2ccccc2)C(C)C)cc1.
What is the InChIKey of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
The InChIKey is QUFNXCDBOXFQJE-PKTZIBPZSA-O. The full InChI is InChI=1S/C24H32N2O/c1-16(2)18-10-12-20(13-11-18)22(17(3)4)26-23(19-8-6-5-7-9-19)24(27)25-21-14-15-21/h5-13,16-17,21-23,26H,14-15H2,1-4H3,(H,25,27)/p+1/t22-,23+/m1/s1.
What are the key properties of [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium?
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium has a molecular weight of 365.54 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium is sourced from PubChem (CID 8923718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).