[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium

C22H30N3O2+ — CID 8992353

IUPAC[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
SMILESCCc1ccc([C@H]([NH2+][C@H](C(=O)NC(=O)NC)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-5-16-11-13-18(14-12-16)19(15(2)3)24-20(17-9-7-6-8-10-17)21(26)25-22(27)23-4/h6-15,19-20,24H,5H2,1-4H3,(H2,23,25,26,27)/p+1/t19-,20+/m1/s1
InChIKeyZYUIGRVAZGMWGE-UXHICEINSA-O
MW368.50 g/mol
LogP2.71
Rot. Bonds7

About [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium

[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium (PubChem CID 8992353) has the molecular formula C22H30N3O2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
PubChem CID8992353
Molecular FormulaC22H30N3O2+
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
SMILESCCc1ccc([C@H]([NH2+][C@H](C(=O)NC(=O)NC)c2ccccc2)C(C)C)cc1
InChIInChI=1S/C22H29N3O2/c1-5-16-11-13-18(14-12-16)19(15(2)3)24-20(17-9-7-6-8-10-17)21(26)25-22(27)23-4/h6-15,19-20,24H,5H2,1-4H3,(H2,23,25,26,27)/p+1/t19-,20+/m1/s1
InChIKeyZYUIGRVAZGMWGE-UXHICEINSA-O
XLogP2.71
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]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
benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8596066
[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 9129688
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 8992288
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]azanium
CID 8923718
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391970
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9391958
[(1R)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]azanium
CID 8769465
[(2S)-1-(methylamino)-1-oxopropan-2-yl]-[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]azanium
CID 8996150
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8774439
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(4-ethylphenoxy)acetate
CID 7845033

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium (CID 8992353) is [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium is CCc1ccc([C@H]([NH2+][C@H](C(=O)NC(=O)NC)c2ccccc2)C(C)C)cc1.
What is the InChIKey of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
The InChIKey is ZYUIGRVAZGMWGE-UXHICEINSA-O. The full InChI is InChI=1S/C22H29N3O2/c1-5-16-11-13-18(14-12-16)19(15(2)3)24-20(17-9-7-6-8-10-17)21(26)25-22(27)23-4/h6-15,19-20,24H,5H2,1-4H3,(H2,23,25,26,27)/p+1/t19-,20+/m1/s1.
What are the key properties of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium has a molecular weight of 368.50 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 8992353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).