N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

C16H24N6O4 — CID 75536482

IUPACN-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](N(Cc2ncc[nH]2)Cc2ncc[nH]2)[C@@H]1O
InChIInChI=1S/C16H24N6O4/c1-25-10-15(23)21-6-12-16(24)11(9-26-12)22(7-13-17-2-3-18-13)8-14-19-4-5-20-14/h2-5,11-12,16,24H,6-10H2,1H3,(H,17,18)(H,19,20)(H,21,23)/t11-,12-,16+/m1/s1
InChIKeyGRTAGZSLLKOOAG-HSMVNMDESA-N
MW364.41 g/mol
LogP-0.97
Rot. Bonds9

About N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide

N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (PubChem CID 75536482) has the molecular formula C16H24N6O4 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
PubChem CID75536482
Molecular FormulaC16H24N6O4
Molecular Weight364.41 g/mol
Exact Mass364.19
IUPAC NameN-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide
SMILESCOCC(=O)NC[C@H]1OC[C@@H](N(Cc2ncc[nH]2)Cc2ncc[nH]2)[C@@H]1O
InChIInChI=1S/C16H24N6O4/c1-25-10-15(23)21-6-12-16(24)11(9-26-12)22(7-13-17-2-3-18-13)8-14-19-4-5-20-14/h2-5,11-12,16,24H,6-10H2,1H3,(H,17,18)(H,19,20)(H,21,23)/t11-,12-,16+/m1/s1
InChIKeyGRTAGZSLLKOOAG-HSMVNMDESA-N
XLogP-0.97
TPSA128.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536528
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]-3,3-dimethylbutanamide
CID 75536529
1-[[(2R,3S,4R)-3-hydroxy-4-(1H-imidazol-2-ylmethylamino)oxolan-2-yl]methyl]-3-propan-2-ylurea
CID 75536737
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536761
[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 141206044
[(2S)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 154222336
N-[3-[3-(2-hydroxy-4-methylpentyl)imidazol-3-ium-1-yl]propyl]-2-[2-[2-oxo-2-[3-(3-propan-2-ylimidazol-1-ium-1-yl)propylamino]ethoxy]ethoxy]acetamide
CID 169800462
N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536470
N-[[(2R,3S,4R)-4-[bis[(1-methylimidazol-2-yl)methyl]amino]-3-hydroxyoxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536486
N-[[(2R,3S,4R)-4-[bis[(1-methylimidazol-2-yl)methyl]amino]-3-hydroxyoxolan-2-yl]methyl]morpholine-4-carboxamide
CID 75536490
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]acetamide
CID 75536510
N-[[(2R,3S,4R)-3-hydroxy-4-[(1-methylimidazol-2-yl)methylamino]oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 75536548

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The IUPAC name of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide (CID 75536482) is N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The canonical SMILES for N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is COCC(=O)NC[C@H]1OC[C@@H](N(Cc2ncc[nH]2)Cc2ncc[nH]2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
The InChIKey is GRTAGZSLLKOOAG-HSMVNMDESA-N. The full InChI is InChI=1S/C16H24N6O4/c1-25-10-15(23)21-6-12-16(24)11(9-26-12)22(7-13-17-2-3-18-13)8-14-19-4-5-20-14/h2-5,11-12,16,24H,6-10H2,1H3,(H,17,18)(H,19,20)(H,21,23)/t11-,12-,16+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide?
N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide has a molecular weight of 364.41 g/mol, XLogP of -0.97, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-4-[bis(1H-imidazol-2-ylmethyl)amino]-3-hydroxyoxolan-2-yl]methyl]-2-methoxyacetamide is sourced from PubChem (CID 75536482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).