[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium

C22H31N2O+ — CID 9131757

IUPAC[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C22H30N2O/c1-15(2)19-13-9-10-17(5)22(19)24-20(25)14-23-21(16(3)4)18-11-7-6-8-12-18/h6-13,15-16,21,23H,14H2,1-5H3,(H,24,25)/p+1/t21-/m1/s1
InChIKeyHIBUYYOBPZBDNF-OAQYLSRUSA-O
MW339.50 g/mol
LogP4.02
Rot. Bonds7

About [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium

[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium (PubChem CID 9131757) has the molecular formula C22H31N2O+ and a molecular weight of 339.50 g/mol. Its IUPAC name is [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
PubChem CID9131757
Molecular FormulaC22H31N2O+
Molecular Weight339.50 g/mol
Exact Mass339.24
IUPAC Name[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C
InChIInChI=1S/C22H30N2O/c1-15(2)19-13-9-10-17(5)22(19)24-20(25)14-23-21(16(3)4)18-11-7-6-8-12-18/h6-13,15-16,21,23H,14H2,1-5H3,(H,24,25)/p+1/t21-/m1/s1
InChIKeyHIBUYYOBPZBDNF-OAQYLSRUSA-O
XLogP4.02
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.50
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium with MolForge

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131551
N-(2-methyl-6-propan-2-ylphenyl)-3-phenylbutanamide
CID 4881413
[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397352
[(1R)-1-(3-chlorophenyl)ethyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium
CID 9331155
[2-(2,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131689
[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992160
[2-(3,5-dimethylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131666
[2-(2,4-dimethylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9131700
[2-[(2-methylphenyl)methylamino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133008
4-(2-methyl-6-propan-2-ylanilino)-4-oxobutanoic acid
CID 9154947
[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132012
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium?
The IUPAC name of [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium (CID 9131757) is [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium is Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C.
What is the InChIKey of [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium?
The InChIKey is HIBUYYOBPZBDNF-OAQYLSRUSA-O. The full InChI is InChI=1S/C22H30N2O/c1-15(2)19-13-9-10-17(5)22(19)24-20(25)14-23-21(16(3)4)18-11-7-6-8-12-18/h6-13,15-16,21,23H,14H2,1-5H3,(H,24,25)/p+1/t21-/m1/s1.
What are the key properties of [(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium?
[(1R)-2-methyl-1-phenylpropyl]-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium has a molecular weight of 339.50 g/mol, XLogP of 4.02, 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-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 9131757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).