N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide

C23H42N2O9 — CID 154930003

IUPACN-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1C(COC(C)(C)C2C(CO)CC(CO)C(NC(C)=O)C2O)CC(CO)C(O)C1O
InChIInChI=1S/C23H42N2O9/c1-11(29)24-18-14(8-27)5-13(7-26)17(21(18)32)23(3,4)34-10-16-6-15(9-28)20(31)22(33)19(16)25-12(2)30/h13-22,26-28,31-33H,5-10H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyLPTSPEHAIVCKIF-UHFFFAOYSA-N
MW490.59 g/mol
LogP-2.26
Rot. Bonds9

About N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide

N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide (PubChem CID 154930003) has the molecular formula C23H42N2O9 and a molecular weight of 490.59 g/mol. Its IUPAC name is N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide
PubChem CID154930003
Molecular FormulaC23H42N2O9
Molecular Weight490.59 g/mol
Exact Mass490.29
IUPAC NameN-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide
SMILESCC(=O)NC1C(COC(C)(C)C2C(CO)CC(CO)C(NC(C)=O)C2O)CC(CO)C(O)C1O
InChIInChI=1S/C23H42N2O9/c1-11(29)24-18-14(8-27)5-13(7-26)17(21(18)32)23(3,4)34-10-16-6-15(9-28)20(31)22(33)19(16)25-12(2)30/h13-22,26-28,31-33H,5-10H2,1-4H3,(H,24,29)(H,25,30)
InChIKeyLPTSPEHAIVCKIF-UHFFFAOYSA-N
XLogP-2.26
TPSA188.81 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.59
LogP ≤ 5-2.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Analyze N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]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

N-[(1S,2R,3S,4R,6S)-2,3,6-trihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 101009658
N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 92534288
N-[(1R,2R,3S,4R)-2,3-dihydroxy-4-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxy]cyclohexyl]propanamide
CID 164782122
N-(4-tert-butyl-2-bicyclo[1.1.1]pentanyl)acetamide
CID 129256410
N-[2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 21304144
N-[(2R,3S,6R)-6-[5-[3-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxy]-2-[5-[(2R,4R,5R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentoxymethyl]-2-methylpropoxy]pentoxy]-2,3-dihydroxy-4-(hydroxymethyl)cyclohexyl]acetamide
CID 162472455
N-[(3R)-2-tert-butyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 130402782
N-[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-methoxy-4-[[(1R,2S,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]oxan-3-yl]acetamide
CID 10363208
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxy]oxan-3-yl]acetamide
CID 148990627
N-[(2S,3R,4R,5R,6R)-2-(2,2-dimethylpropyl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 169019001
N-[(2R,5R)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]acetamide
CID 70799397
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-[3-[(2-methylpropan-2-yl)oxy]propylamino]cyclopentane-1,2-diol
CID 162476727

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide?
The IUPAC name of N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide (CID 154930003) is N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide?
The canonical SMILES for N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide is CC(=O)NC1C(COC(C)(C)C2C(CO)CC(CO)C(NC(C)=O)C2O)CC(CO)C(O)C1O.
What is the InChIKey of N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide?
The InChIKey is LPTSPEHAIVCKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O9/c1-11(29)24-18-14(8-27)5-13(7-26)17(21(18)32)23(3,4)34-10-16-6-15(9-28)20(31)22(33)19(16)25-12(2)30/h13-22,26-28,31-33H,5-10H2,1-4H3,(H,24,29)(H,25,30).
What are the key properties of N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide?
N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide has a molecular weight of 490.59 g/mol, XLogP of -2.26, 9 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[2-acetamido-3,4-dihydroxy-5-(hydroxymethyl)cyclohexyl]methoxy]propan-2-yl]-2-hydroxy-4,6-bis(hydroxymethyl)cyclohexyl]acetamide is sourced from PubChem (CID 154930003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).