[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

C20H27N2O+ — CID 9131705

IUPAC[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)20(18-12-8-5-9-13-18)21-14-19(23)22-16(3)17-10-6-4-7-11-17/h4-13,15-16,20-21H,14H2,1-3H3,(H,22,23)/p+1/t16-,20+/m0/s1
InChIKeyGOZJJEWVYNJHMA-OXJNMPFZSA-O
MW311.45 g/mol
LogP2.82
Rot. Bonds7

About [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium

[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium (PubChem CID 9131705) has the molecular formula C20H27N2O+ and a molecular weight of 311.45 g/mol. Its IUPAC name is [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
PubChem CID9131705
Molecular FormulaC20H27N2O+
Molecular Weight311.45 g/mol
Exact Mass311.21
IUPAC Name[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
SMILESCC(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26N2O/c1-15(2)20(18-12-8-5-9-13-18)21-14-19(23)22-16(3)17-10-6-4-7-11-17/h4-13,15-16,20-21H,14H2,1-3H3,(H,22,23)/p+1/t16-,20+/m0/s1
InChIKeyGOZJJEWVYNJHMA-OXJNMPFZSA-O
XLogP2.82
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium with MolForge

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Related Compounds

[(1R)-1-(4-fluorophenyl)-2-methylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium
CID 9133436
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132137
[2-(tert-butylcarbamoylamino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132135
[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
2-fluoro-N-(1-phenylethyl)acetamide
CID 10329953
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133008
[2-(2-acetylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132063
[2-(4-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131601
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132977

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The IUPAC name of [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium (CID 9131705) is [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium.
What is the SMILES notation for [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The canonical SMILES for [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium is CC(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
The InChIKey is GOZJJEWVYNJHMA-OXJNMPFZSA-O. The full InChI is InChI=1S/C20H26N2O/c1-15(2)20(18-12-8-5-9-13-18)21-14-19(23)22-16(3)17-10-6-4-7-11-17/h4-13,15-16,20-21H,14H2,1-3H3,(H,22,23)/p+1/t16-,20+/m0/s1.
What are the key properties of [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium?
[(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium has a molecular weight of 311.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methyl-1-phenylpropyl]-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]azanium is sourced from PubChem (CID 9131705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).