(2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide

C15H21NO6 — CID 101019303

IUPAC(2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide
SMILESC=Cc1ccc(CNC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C15H21NO6/c1-2-9-3-5-10(6-4-9)7-16-15(22)14(21)13(20)12(19)11(18)8-17/h2-6,11-14,17-21H,1,7-8H2,(H,16,22)/t11-,12-,13+,14+/m1/s1
InChIKeyRQOANDUJOKVYJE-MQYQWHSLSA-N
MW311.33 g/mol
LogP-1.62
Rot. Bonds8

About (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide

(2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide (PubChem CID 101019303) has the molecular formula C15H21NO6 and a molecular weight of 311.33 g/mol. Its IUPAC name is (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide.

Molecular Properties

Compound Name(2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide
PubChem CID101019303
Molecular FormulaC15H21NO6
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name(2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide
SMILESC=Cc1ccc(CNC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C15H21NO6/c1-2-9-3-5-10(6-4-9)7-16-15(22)14(21)13(20)12(19)11(18)8-17/h2-6,11-14,17-21H,1,7-8H2,(H,16,22)/t11-,12-,13+,14+/m1/s1
InChIKeyRQOANDUJOKVYJE-MQYQWHSLSA-N
XLogP-1.62
TPSA130.25 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.33
LogP ≤ 5-1.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide 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

(2S,3R,4S,5R)-6-[(4-ethenylphenyl)methylamino]-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 101030208
dichloropalladium;bis((2R,3S,4R,5R)-N-[(4-diphenylphosphanylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide)
CID 11434748
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide
CID 22084455
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
CID 92529727
(2R,3R,4S,5R,6R)-N-[2-[[(2R,3R,4S,5R,6R)-2,3,4,5,6,7-hexahydroxyheptanoyl]amino]ethyl]-2,3,4,5,6,7-hexahydroxyheptanamide
CID 102513201
(2R,3R,4R,5R)-1-(4-ethenylphenyl)hexane-1,2,3,4,5,6-hexol
CID 102305426
(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxy-N-[3-[[(2R,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propyl]hexanamide
CID 14403953
(3S,4R)-N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 138650369
ethane;N-ethyl-2,3,4,5,6-pentahydroxyhexanamide
CID 144926346
N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
CID 6060051
N-(2-bromoethyl)-2,3,4,5,6-pentahydroxyhexanamide
CID 117069356
tert-butyl N-[(4-ethenylphenyl)methyl]carbamate
CID 86169082

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide?
The IUPAC name of (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide (CID 101019303) is (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide.
What is the SMILES notation for (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide?
The canonical SMILES for (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide is C=Cc1ccc(CNC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide?
The InChIKey is RQOANDUJOKVYJE-MQYQWHSLSA-N. The full InChI is InChI=1S/C15H21NO6/c1-2-9-3-5-10(6-4-9)7-16-15(22)14(21)13(20)12(19)11(18)8-17/h2-6,11-14,17-21H,1,7-8H2,(H,16,22)/t11-,12-,13+,14+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide?
(2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide has a molecular weight of 311.33 g/mol, XLogP of -1.62, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-N-[(4-ethenylphenyl)methyl]-2,3,4,5,6-pentahydroxyhexanamide is sourced from PubChem (CID 101019303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).