[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

C21H27ClN3O2+ — CID 8598670

IUPAC[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-14-8-7-9-15(2)21(14)24-19(26)13-25(4)20(27)12-23-16(3)17-10-5-6-11-18(17)22/h5-11,16,23H,12-13H2,1-4H3,(H,24,26)/p+1/t16-/m1/s1
InChIKeyOTHDTWVEKHQBJC-MRXNPFEDSA-O
MW388.92 g/mol
LogP2.68
Rot. Bonds7

About [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium

[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (PubChem CID 8598670) has the molecular formula C21H27ClN3O2+ and a molecular weight of 388.92 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
PubChem CID8598670
Molecular FormulaC21H27ClN3O2+
Molecular Weight388.92 g/mol
Exact Mass388.18
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1Cl
InChIInChI=1S/C21H26ClN3O2/c1-14-8-7-9-15(2)21(14)24-19(26)13-25(4)20(27)12-23-16(3)17-10-5-6-11-18(17)22/h5-11,16,23H,12-13H2,1-4H3,(H,24,26)/p+1/t16-/m1/s1
InChIKeyOTHDTWVEKHQBJC-MRXNPFEDSA-O
XLogP2.68
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9255188
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]azanium
CID 9306887
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133961
[(1S)-1-(2,4-dichlorophenyl)ethyl]-[2-[[2-(2,5-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9041050
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9437869
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
N-(2,6-dimethylphenyl)-2-[[2-[1-(2-methoxyphenyl)ethyl-methylamino]acetyl]-methylamino]acetamide
CID 55628358
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 17449089
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]azanium
CID 9369566
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium
CID 9335080
[(1S)-1-(2-chlorophenyl)ethyl]-[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium
CID 9306614

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium (CID 8598670) is [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[NH2+][C@H](C)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
The InChIKey is OTHDTWVEKHQBJC-MRXNPFEDSA-O. The full InChI is InChI=1S/C21H26ClN3O2/c1-14-8-7-9-15(2)21(14)24-19(26)13-25(4)20(27)12-23-16(3)17-10-5-6-11-18(17)22/h5-11,16,23H,12-13H2,1-4H3,(H,24,26)/p+1/t16-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium?
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium has a molecular weight of 388.92 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl]-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium is sourced from PubChem (CID 8598670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).