[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium

C20H32N3O4+ — CID 8793798

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
SMILESCC[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(=O)Nc1c(C)cccc1C)C(=O)OC
InChIInChI=1S/C20H31N3O4/c1-7-13(2)19(20(26)27-6)22-17(25)12-23(5)11-16(24)21-18-14(3)9-8-10-15(18)4/h8-10,13,19H,7,11-12H2,1-6H3,(H,21,24)(H,22,25)/p+1/t13-,19+/m1/s1
InChIKeyBGSJVECQFUTXJO-YJYMSZOUSA-O
MW378.49 g/mol
LogP0.46
Rot. Bonds9

About [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium

[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium (PubChem CID 8793798) has the molecular formula C20H32N3O4+ and a molecular weight of 378.49 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
PubChem CID8793798
Molecular FormulaC20H32N3O4+
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
SMILESCC[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(=O)Nc1c(C)cccc1C)C(=O)OC
InChIInChI=1S/C20H31N3O4/c1-7-13(2)19(20(26)27-6)22-17(25)12-23(5)11-16(24)21-18-14(3)9-8-10-15(18)4/h8-10,13,19H,7,11-12H2,1-6H3,(H,21,24)(H,22,25)/p+1/t13-,19+/m1/s1
InChIKeyBGSJVECQFUTXJO-YJYMSZOUSA-O
XLogP0.46
TPSA88.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium with MolForge

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Launch Full Analysis

Related Compounds

methyl (2R,3R)-2-[[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetyl]amino]-3-methylpentanoate
CID 8917633
methyl (2S,3R)-2-[[2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetyl]amino]-3-methylpentanoate
CID 8917626
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8817948
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium
CID 8817954
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8550996
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-(methoxycarbonylamino)-2-oxoethyl]-methylazanium
CID 9221931
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 8793858
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9222089
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
[2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339145
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]azanium
CID 9347968
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9222015

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium (CID 8793798) is [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium is CC[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(=O)Nc1c(C)cccc1C)C(=O)OC.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is BGSJVECQFUTXJO-YJYMSZOUSA-O. The full InChI is InChI=1S/C20H31N3O4/c1-7-13(2)19(20(26)27-6)22-17(25)12-23(5)11-16(24)21-18-14(3)9-8-10-15(18)4/h8-10,13,19H,7,11-12H2,1-6H3,(H,21,24)(H,22,25)/p+1/t13-,19+/m1/s1.
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium?
[2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 378.49 g/mol, XLogP of 0.46, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl]-[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8793798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).