2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide

C23H35ClN2O12 — CID 3420538

IUPAC2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN=CC(O)C(O)C(COCC1OC(CO)C(O)C(O)C1O)C(O)CO
InChIInChI=1S/C23H35ClN2O12/c1-11-4-12(24)2-3-16(11)37-10-19(31)26-25-5-14(29)20(32)13(15(30)6-27)8-36-9-18-22(34)23(35)21(33)17(7-28)38-18/h2-5,13-15,17-18,20-23,27-30,32-35H,6-10H2,1H3,(H,26,31)
InChIKeyZZAJJGXEZVBJNW-UHFFFAOYSA-N
MW566.99 g/mol
LogP-3.32
Rot. Bonds14

About 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide

2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide (PubChem CID 3420538) has the molecular formula C23H35ClN2O12 and a molecular weight of 566.99 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide
PubChem CID3420538
Molecular FormulaC23H35ClN2O12
Molecular Weight566.99 g/mol
Exact Mass566.19
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)NN=CC(O)C(O)C(COCC1OC(CO)C(O)C(O)C1O)C(O)CO
InChIInChI=1S/C23H35ClN2O12/c1-11-4-12(24)2-3-16(11)37-10-19(31)26-25-5-14(29)20(32)13(15(30)6-27)8-36-9-18-22(34)23(35)21(33)17(7-28)38-18/h2-5,13-15,17-18,20-23,27-30,32-35H,6-10H2,1H3,(H,26,31)
InChIKeyZZAJJGXEZVBJNW-UHFFFAOYSA-N
XLogP-3.32
TPSA230.99 Ų
H-Bond Donors9
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500566.99
LogP ≤ 5-3.32
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide 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-(2,4-dichlorophenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide
CID 3610889
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
(2S)-2-(4-chloro-2-methylphenoxy)-N-[[4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methylideneamino]propanamide
CID 129448300
2-(4-chloro-2-methylphenoxy)-N-[(4-methoxy-3-methylphenyl)methylideneamino]acetamide
CID 4980388
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 9317278
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893
5-[[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
CID 74259890
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135837461
methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9218105
(2R)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-hydroxybutanoic acid
CID 107822760
2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide (CID 3420538) is 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide is Cc1cc(Cl)ccc1OCC(=O)NN=CC(O)C(O)C(COCC1OC(CO)C(O)C(O)C1O)C(O)CO.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide?
The InChIKey is ZZAJJGXEZVBJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35ClN2O12/c1-11-4-12(24)2-3-16(11)37-10-19(31)26-25-5-14(29)20(32)13(15(30)6-27)8-36-9-18-22(34)23(35)21(33)17(7-28)38-18/h2-5,13-15,17-18,20-23,27-30,32-35H,6-10H2,1H3,(H,26,31).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide has a molecular weight of 566.99 g/mol, XLogP of -3.32, 14 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[[2,3,5,6-tetrahydroxy-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]hexylidene]amino]acetamide is sourced from PubChem (CID 3420538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).