2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide

C24H56N4O6 — CID 143414316

IUPAC2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide
SMILESCC.CC.CC.CCCC(C(O)C(=O)NCC(=O)O)N(C)C.CCCC(NC)C(O)C(=O)NC
InChIInChI=1S/C10H20N2O4.C8H18N2O2.3C2H6/c1-4-5-7(12(2)3)9(15)10(16)11-6-8(13)14;1-4-5-6(9-2)7(11)8(12)10-3;3*1-2/h7,9,15H,4-6H2,1-3H3,(H,11,16)(H,13,14);6-7,9,11H,4-5H2,1-3H3,(H,10,12);3*1-2H3
InChIKeyAXCVNWBROIQVDS-UHFFFAOYSA-N
MW496.73 g/mol
LogP1.84
Rot. Bonds12

About 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide

2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide (PubChem CID 143414316) has the molecular formula C24H56N4O6 and a molecular weight of 496.73 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide
PubChem CID143414316
Molecular FormulaC24H56N4O6
Molecular Weight496.73 g/mol
Exact Mass496.42
IUPAC Name2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide
SMILESCC.CC.CC.CCCC(C(O)C(=O)NCC(=O)O)N(C)C.CCCC(NC)C(O)C(=O)NC
InChIInChI=1S/C10H20N2O4.C8H18N2O2.3C2H6/c1-4-5-7(12(2)3)9(15)10(16)11-6-8(13)14;1-4-5-6(9-2)7(11)8(12)10-3;3*1-2/h7,9,15H,4-6H2,1-3H3,(H,11,16)(H,13,14);6-7,9,11H,4-5H2,1-3H3,(H,10,12);3*1-2H3
InChIKeyAXCVNWBROIQVDS-UHFFFAOYSA-N
XLogP1.84
TPSA151.23 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.73
LogP ≤ 51.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide 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

2-[[(3S)-2-hydroxy-5-methyl-3-(methylamino)hexanoyl]amino]acetic acid
CID 58605317
2-[2-(methylamino)pentanoylamino]acetic acid
CID 154969168
(3S)-N-cyclopropyl-2-hydroxy-3-(methylamino)hexanamide
CID 59592034
N-[2-[(2-amino-2-oxo-1-phenylethyl)amino]-2-oxoethyl]-2-hydroxy-3-(methylamino)hexanamide
CID 142110705
butyl 2-[[3-(chloroamino)-2-hydroxyhexanoyl]amino]acetate
CID 89167264
3-methyl-4-(methylamino)heptanoic acid
CID 116953418
2-[2-(2-methylhexan-3-ylsulfanyl)propanoylamino]acetic acid
CID 91361696
(2S)-2-amino-N-methyl-2-phenylacetamide;2-[(2-hydroxy-3-methylhexanoyl)amino]acetic acid;2-hydroxy-3-methyl-N-[2-[[(1S)-2-(methylamino)-2-oxo-1-phenylethyl]amino]-2-oxoethyl]hexanamide;methane;hydrochloride
CID 159106601
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
2-[[3-[(2-ethyl-3,3-dimethylbutanoyl)amino]-2-hydroxy-5-methylsulfanylpentanoyl]amino]acetic acid
CID 142090734
2-[[(2R)-2-amino-3-(1-hydroxyhexan-3-ylsulfanyl)propanoyl]amino]acetic acid
CID 90240979

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide?
The IUPAC name of 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide (CID 143414316) is 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide?
The canonical SMILES for 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide is CC.CC.CC.CCCC(C(O)C(=O)NCC(=O)O)N(C)C.CCCC(NC)C(O)C(=O)NC.
What is the InChIKey of 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide?
The InChIKey is AXCVNWBROIQVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4.C8H18N2O2.3C2H6/c1-4-5-7(12(2)3)9(15)10(16)11-6-8(13)14;1-4-5-6(9-2)7(11)8(12)10-3;3*1-2/h7,9,15H,4-6H2,1-3H3,(H,11,16)(H,13,14);6-7,9,11H,4-5H2,1-3H3,(H,10,12);3*1-2H3.
What are the key properties of 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide?
2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide has a molecular weight of 496.73 g/mol, XLogP of 1.84, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2-hydroxyhexanoyl]amino]acetic acid;ethane;2-hydroxy-N-methyl-3-(methylamino)hexanamide is sourced from PubChem (CID 143414316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).