(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide

C13H19NO5 — CID 6991445

IUPAC(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
SMILESCc1ccc(NC(=O)[C@@H](O)[C@H](O)[C@@H](O)CO)cc1C
InChIInChI=1S/C13H19NO5/c1-7-3-4-9(5-8(7)2)14-13(19)12(18)11(17)10(16)6-15/h3-5,10-12,15-18H,6H2,1-2H3,(H,14,19)/t10-,11+,12-/m0/s1
InChIKeyQNRFMBRRBOYLJH-TUAOUCFPSA-N
MW269.30 g/mol
LogP-0.68
Rot. Bonds5

About (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide

(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide (PubChem CID 6991445) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide.

Molecular Properties

Compound Name(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
PubChem CID6991445
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
SMILESCc1ccc(NC(=O)[C@@H](O)[C@H](O)[C@@H](O)CO)cc1C
InChIInChI=1S/C13H19NO5/c1-7-3-4-9(5-8(7)2)14-13(19)12(18)11(17)10(16)6-15/h3-5,10-12,15-18H,6H2,1-2H3,(H,14,19)/t10-,11+,12-/m0/s1
InChIKeyQNRFMBRRBOYLJH-TUAOUCFPSA-N
XLogP-0.68
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S,4R)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide
CID 1097617
(2R,3R,4R)-N-(4-aminophenyl)-2,3,4,5-tetrahydroxypentanamide
CID 54431167
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-(4-methoxyphenyl)hexanamide
CID 72548867
(2R,3S,4R)-5-(3,4-dimethylanilino)pentane-1,2,3,4-tetrol
CID 688650
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690
(2R)-N-(3,4-dimethylphenyl)-2-pyrrol-1-ylpropanamide
CID 40796758
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071
2,5-diamino-N-(3,4-dimethylphenyl)-3-methylpentanamide
CID 123210536
2-(2,3-dihydroxypropylsulfanyl)-N-(3,4-dimethylphenyl)acetamide
CID 79683189
N-(3,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113847

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide?
The IUPAC name of (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide (CID 6991445) is (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide.
What is the SMILES notation for (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide?
The canonical SMILES for (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide is Cc1ccc(NC(=O)[C@@H](O)[C@H](O)[C@@H](O)CO)cc1C.
What is the InChIKey of (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide?
The InChIKey is QNRFMBRRBOYLJH-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H19NO5/c1-7-3-4-9(5-8(7)2)14-13(19)12(18)11(17)10(16)6-15/h3-5,10-12,15-18H,6H2,1-2H3,(H,14,19)/t10-,11+,12-/m0/s1.
What are the key properties of (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide?
(2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide has a molecular weight of 269.30 g/mol, XLogP of -0.68, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-N-(3,4-dimethylphenyl)-2,3,4,5-tetrahydroxypentanamide is sourced from PubChem (CID 6991445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).