benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium

C23H24N3O2+ — CID 8596066

IUPACbenzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
SMILESCNC(=O)NC(=O)[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-24-23(28)26-22(27)21(19-15-9-4-10-16-19)25-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-21,25H,1H3,(H2,24,26,27,28)/p+1/t21-/m1/s1
InChIKeyHRHMRJGVHRVUQF-OAQYLSRUSA-O
MW374.46 g/mol
LogP2.54
Rot. Bonds6

About benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium

benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium (PubChem CID 8596066) has the molecular formula C23H24N3O2+ and a molecular weight of 374.46 g/mol. Its IUPAC name is benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
PubChem CID8596066
Molecular FormulaC23H24N3O2+
Molecular Weight374.46 g/mol
Exact Mass374.19
IUPAC Namebenzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
SMILESCNC(=O)NC(=O)[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-24-23(28)26-22(27)21(19-15-9-4-10-16-19)25-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-21,25H,1H3,(H2,24,26,27,28)/p+1/t21-/m1/s1
InChIKeyHRHMRJGVHRVUQF-OAQYLSRUSA-O
XLogP2.54
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(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
cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 7509463
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8992353
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7928623
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 7928894
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8774439
(2S)-N-(methylcarbamoyl)-2-phenyl-2-(4-phenylanilino)acetamide
CID 7509578
benzhydryl-[(2R)-1-oxo-1-(propylamino)propan-2-yl]azanium
CID 9445876
methyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(thiophen-2-ylmethyl)azanium
CID 8517042
(2S)-2-[[(R)-cyclobutyl(phenyl)methyl]amino]-N-(methylcarbamoyl)propanamide
CID 95302028

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
The IUPAC name of benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium (CID 8596066) is benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium.
What is the SMILES notation for benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
The canonical SMILES for benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium is CNC(=O)NC(=O)[C@H]([NH2+]C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
The InChIKey is HRHMRJGVHRVUQF-OAQYLSRUSA-O. The full InChI is InChI=1S/C23H23N3O2/c1-24-23(28)26-22(27)21(19-15-9-4-10-16-19)25-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-21,25H,1H3,(H2,24,26,27,28)/p+1/t21-/m1/s1.
What are the key properties of benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium?
benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium has a molecular weight of 374.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium is sourced from PubChem (CID 8596066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).