(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide

C14H21NO7 — CID 129145601

IUPAC(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(NC(=O)C(CO)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C14H21NO7/c1-22-9-4-2-8(3-5-9)15-14(21)10(6-16)12(19)13(20)11(18)7-17/h2-5,10-13,16-20H,6-7H2,1H3,(H,15,21)/t10?,11-,12-,13-/m1/s1
InChIKeyHZVXZTDWFCSFQS-KIGPFUIMSA-N
MW315.32 g/mol
LogP-1.68
Rot. Bonds8

About (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide

(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide (PubChem CID 129145601) has the molecular formula C14H21NO7 and a molecular weight of 315.32 g/mol. Its IUPAC name is (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide.

Molecular Properties

Compound Name(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
PubChem CID129145601
Molecular FormulaC14H21NO7
Molecular Weight315.32 g/mol
Exact Mass315.13
IUPAC Name(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide
SMILESCOc1ccc(NC(=O)C(CO)[C@@H](O)[C@H](O)[C@H](O)CO)cc1
InChIInChI=1S/C14H21NO7/c1-22-9-4-2-8(3-5-9)15-14(21)10(6-16)12(19)13(20)11(18)7-17/h2-5,10-13,16-20H,6-7H2,1H3,(H,15,21)/t10?,11-,12-,13-/m1/s1
InChIKeyHZVXZTDWFCSFQS-KIGPFUIMSA-N
XLogP-1.68
TPSA139.48 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.32
LogP ≤ 5-1.68
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)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

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
CID 72548867
(2S,3S)-2-ethyl-3-hydroxy-N-(4-methoxyphenyl)hexanamide
CID 11777634
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
(2R,3R)-N-(4-ethylphenyl)-3-hydroxy-3-(4-methoxyphenyl)-2-methylpropanamide
CID 96538151
[2,3-dihydroxy-4-[(4-methoxyphenyl)carbamoyloxy]butyl] N-(4-methoxyphenyl)carbamate
CID 122366886
(2R)-2-[(R)-hydroxy-(4-methoxyphenyl)methyl]-N-(4-methoxyphenyl)-5-phenylpentanamide
CID 11729459
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(2S)-2-fluoro-N-(4-methoxyphenyl)-3-oxobutanamide
CID 125485818
(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide
CID 54431167
(2R,3S)-3-[(3,5-dimethylphenyl)methyl]-4-(4-methoxyanilino)-2-methyl-4-oxobutanoic acid
CID 1049963
(2S)-2-amino-N-(4-methoxyphenyl)-3,3-dimethylbutanamide
CID 61149357
2,2-difluoro-3-hydroxy-N-(4-methoxyphenyl)propanamide
CID 139665561

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide?
The IUPAC name of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide (CID 129145601) is (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide.
What is the SMILES notation for (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide?
The canonical SMILES for (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide is COc1ccc(NC(=O)C(CO)[C@@H](O)[C@H](O)[C@H](O)CO)cc1.
What is the InChIKey of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide?
The InChIKey is HZVXZTDWFCSFQS-KIGPFUIMSA-N. The full InChI is InChI=1S/C14H21NO7/c1-22-9-4-2-8(3-5-9)15-14(21)10(6-16)12(19)13(20)11(18)7-17/h2-5,10-13,16-20H,6-7H2,1H3,(H,15,21)/t10?,11-,12-,13-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide?
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide has a molecular weight of 315.32 g/mol, XLogP of -1.68, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-(hydroxymethyl)-N-(4-methoxyphenyl)hexanamide is sourced from PubChem (CID 129145601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).