(2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide

C13H26N2O6 — CID 157255362

IUPAC(2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide
SMILESCCC(CC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)C(=O)NC
InChIInChI=1S/C13H26N2O6/c1-4-8(13(21)14-3)5-10(18)15-6-9(17)12(20)11(19)7(2)16/h7-9,11-12,16-17,19-20H,4-6H2,1-3H3,(H,14,21)(H,15,18)/t7-,8?,9+,11-,12-/m1/s1
InChIKeyKSYXDKONYGXWJA-DOUGSKFGSA-N
MW306.36 g/mol
LogP-2.27
Rot. Bonds9

About (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide

(2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide (PubChem CID 157255362) has the molecular formula C13H26N2O6 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide.

Molecular Properties

Compound Name(2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide
PubChem CID157255362
Molecular FormulaC13H26N2O6
Molecular Weight306.36 g/mol
Exact Mass306.18
IUPAC Name(2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide
SMILESCCC(CC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)C(=O)NC
InChIInChI=1S/C13H26N2O6/c1-4-8(13(21)14-3)5-10(18)15-6-9(17)12(20)11(19)7(2)16/h7-9,11-12,16-17,19-20H,4-6H2,1-3H3,(H,14,21)(H,15,18)/t7-,8?,9+,11-,12-/m1/s1
InChIKeyKSYXDKONYGXWJA-DOUGSKFGSA-N
XLogP-2.27
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 5-2.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide 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

(3R)-3-ethyl-4-oxo-N-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pentanamide
CID 160566842
(2S)-N-methyl-2-(methylamino)-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]butanediamide
CID 59197821
N-methyl-2-(methylamino)-N'-(2,3,4,5,6-pentahydroxyhexyl)butanediamide
CID 59197838
2-amino-4-oxo-4-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyheptyl]amino]butanoic acid
CID 157157013
2-ethyl-N-methylbutanediamide
CID 89267144
N,2-dimethyl-N'-(2,3,4,5-tetrahydroxypentyl)pentanediamide
CID 176836986
2-(hydroxymethyl)-N-methylbutanamide
CID 58973980
(2S,3R,4S,5R)-heptane-2,3,4,5-tetrol
CID 118099468
2-ethyl-N-methylpentanamide
CID 55287466
N-(2-hydroxypropyl)-3-methylpentanamide
CID 114875363
N-[(2S)-2-hydroxypropyl]-3-methylpentanamide
CID 104982256
3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 114168522

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide?
The IUPAC name of (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide (CID 157255362) is (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide.
What is the SMILES notation for (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide?
The canonical SMILES for (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide is CCC(CC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)C(=O)NC.
What is the InChIKey of (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide?
The InChIKey is KSYXDKONYGXWJA-DOUGSKFGSA-N. The full InChI is InChI=1S/C13H26N2O6/c1-4-8(13(21)14-3)5-10(18)15-6-9(17)12(20)11(19)7(2)16/h7-9,11-12,16-17,19-20H,4-6H2,1-3H3,(H,14,21)(H,15,18)/t7-,8?,9+,11-,12-/m1/s1.
What are the key properties of (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide?
(2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide has a molecular weight of 306.36 g/mol, XLogP of -2.27, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-N-methyl-N'-[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyhexyl]butanediamide is sourced from PubChem (CID 157255362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).