[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C22H30N3O2+ — CID 9049271

IUPAC[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+](C)CC(=O)NC(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)23-20(26)14-25(5)21(18-9-7-6-8-10-18)22(27)24-19-13-16(3)11-12-17(19)4/h6-13,15,21H,14H2,1-5H3,(H,23,26)(H,24,27)/p+1/t21-/m0/s1
InChIKeyOBNMNPHCYNQMRB-NRFANRHFSA-O
MW368.50 g/mol
LogP2.02
Rot. Bonds7

About [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9049271) has the molecular formula C22H30N3O2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9049271
Molecular FormulaC22H30N3O2+
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC Name[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+](C)CC(=O)NC(C)C)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)23-20(26)14-25(5)21(18-9-7-6-8-10-18)22(27)24-19-13-16(3)11-12-17(19)4/h6-13,15,21H,14H2,1-5H3,(H,23,26)(H,24,27)/p+1/t21-/m0/s1
InChIKeyOBNMNPHCYNQMRB-NRFANRHFSA-O
XLogP2.02
TPSA62.64 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 ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

[2-(dimethylamino)-2-oxoethyl]-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8712142
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-[(2-fluorophenyl)methyl]-methylazanium
CID 8517747
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049751
(2S,3R)-N-(2,5-dimethylphenyl)-3-methyl-2-phenylpentanamide
CID 8712534
1,3-benzothiazol-2-ylmethyl-[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8801957
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248578
(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119
(2S)-N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)methylamino]-2-phenylacetamide
CID 7928830
(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7773023
[2-(dimethylamino)-2-oxoethyl]-methyl-[(1R)-2-(4-methyl-2-nitroanilino)-2-oxo-1-phenylethyl]azanium
CID 8712168
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9049271) is [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)[NH+](C)CC(=O)NC(C)C)c1.
What is the InChIKey of [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is OBNMNPHCYNQMRB-NRFANRHFSA-O. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)23-20(26)14-25(5)21(18-9-7-6-8-10-18)22(27)24-19-13-16(3)11-12-17(19)4/h6-13,15,21H,14H2,1-5H3,(H,23,26)(H,24,27)/p+1/t21-/m0/s1.
What are the key properties of [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 368.50 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9049271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).