N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide

C19H27N5O4 — CID 40781631

IUPACN-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide
SMILESCNCc1cn(C[C@H]2O[C@@H](CC(=O)N(C)Cc3ccccc3)[C@H](O)[C@@H]2O)nn1
InChIInChI=1S/C19H27N5O4/c1-20-9-14-11-24(22-21-14)12-16-19(27)18(26)15(28-16)8-17(25)23(2)10-13-6-4-3-5-7-13/h3-7,11,15-16,18-20,26-27H,8-10,12H2,1-2H3/t15-,16+,18-,19+/m0/s1
InChIKeyUAXYWDNORYTWDA-OGWHTMIXSA-N
MW389.46 g/mol
LogP-0.46
Rot. Bonds8

About N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide

N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide (PubChem CID 40781631) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide
PubChem CID40781631
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC NameN-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide
SMILESCNCc1cn(C[C@H]2O[C@@H](CC(=O)N(C)Cc3ccccc3)[C@H](O)[C@@H]2O)nn1
InChIInChI=1S/C19H27N5O4/c1-20-9-14-11-24(22-21-14)12-16-19(27)18(26)15(28-16)8-17(25)23(2)10-13-6-4-3-5-7-13/h3-7,11,15-16,18-20,26-27H,8-10,12H2,1-2H3/t15-,16+,18-,19+/m0/s1
InChIKeyUAXYWDNORYTWDA-OGWHTMIXSA-N
XLogP-0.46
TPSA112.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide (CID 40781631) is N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide is CNCc1cn(C[C@H]2O[C@@H](CC(=O)N(C)Cc3ccccc3)[C@H](O)[C@@H]2O)nn1.
What is the InChIKey of N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide?
The InChIKey is UAXYWDNORYTWDA-OGWHTMIXSA-N. The full InChI is InChI=1S/C19H27N5O4/c1-20-9-14-11-24(22-21-14)12-16-19(27)18(26)15(28-16)8-17(25)23(2)10-13-6-4-3-5-7-13/h3-7,11,15-16,18-20,26-27H,8-10,12H2,1-2H3/t15-,16+,18-,19+/m0/s1.
What are the key properties of N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide?
N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide has a molecular weight of 389.46 g/mol, XLogP of -0.46, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[[4-(methylaminomethyl)triazol-1-yl]methyl]oxolan-2-yl]-N-methylacetamide is sourced from PubChem (CID 40781631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).