[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium

C24H34N3O2+ — CID 8646000

IUPAC[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1
InChIInChI=1S/C24H33N3O2/c1-16(2)14-21(20-12-7-6-8-13-20)26-19(5)24(29)25-15-22(28)27-23-17(3)10-9-11-18(23)4/h6-13,16,19,21,26H,14-15H2,1-5H3,(H,25,29)(H,27,28)/p+1/t19-,21+/m1/s1
InChIKeyWAMANPODHSIHJQ-CTNGQTDRSA-O
MW396.56 g/mol
LogP3.10
Rot. Bonds9

About [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium

[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium (PubChem CID 8646000) has the molecular formula C24H34N3O2+ and a molecular weight of 396.56 g/mol. Its IUPAC name is [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium.

Molecular Properties

Compound Name[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium
PubChem CID8646000
Molecular FormulaC24H34N3O2+
Molecular Weight396.56 g/mol
Exact Mass396.26
IUPAC Name[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium
SMILESCc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1
InChIInChI=1S/C24H33N3O2/c1-16(2)14-21(20-12-7-6-8-13-20)26-19(5)24(29)25-15-22(28)27-23-17(3)10-9-11-18(23)4/h6-13,16,19,21,26H,14-15H2,1-5H3,(H,25,29)(H,27,28)/p+1/t19-,21+/m1/s1
InChIKeyWAMANPODHSIHJQ-CTNGQTDRSA-O
XLogP3.10
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium with MolForge

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Launch Full Analysis

Related Compounds

(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(1S)-3-methyl-1-phenylbutyl]amino]propanamide
CID 8646005
[(1S)-1-(3,4-difluorophenyl)ethyl]-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium
CID 9043983
[(1R)-1-(3,4-difluorophenyl)ethyl]-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium
CID 9043996
[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[(2S)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]azanium
CID 9129659
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl]-[(1R)-1-phenylethyl]azanium
CID 9248772
N-[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 26002664
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenoxypropanamide
CID 51140359
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)sulfanylpropanamide
CID 60561702
(2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-methylpentanamide
CID 124732965
(2S)-2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4-methylpentanamide
CID 51513658
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium?
The IUPAC name of [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium (CID 8646000) is [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium.
What is the SMILES notation for [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium?
The canonical SMILES for [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium is Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1.
What is the InChIKey of [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium?
The InChIKey is WAMANPODHSIHJQ-CTNGQTDRSA-O. The full InChI is InChI=1S/C24H33N3O2/c1-16(2)14-21(20-12-7-6-8-13-20)26-19(5)24(29)25-15-22(28)27-23-17(3)10-9-11-18(23)4/h6-13,16,19,21,26H,14-15H2,1-5H3,(H,25,29)(H,27,28)/p+1/t19-,21+/m1/s1.
What are the key properties of [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium?
[(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium has a molecular weight of 396.56 g/mol, XLogP of 3.10, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-[(1S)-3-methyl-1-phenylbutyl]azanium is sourced from PubChem (CID 8646000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).