N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide

C18H26N2O5 — CID 40777833

IUPACN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C18H26N2O5/c1-10(2)20-15(21)8-13-16(22)17(23)14(25-13)9-19-18(24)12-6-4-11(3)5-7-12/h4-7,10,13-14,16-17,22-23H,8-9H2,1-3H3,(H,19,24)(H,20,21)/t13-,14+,16-,17+/m0/s1
InChIKeyYAMQUBBUCFJJKW-HDEZJCGLSA-N
MW350.42 g/mol
LogP0.13
Rot. Bonds6

About N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide

N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide (PubChem CID 40777833) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide
PubChem CID40777833
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C18H26N2O5/c1-10(2)20-15(21)8-13-16(22)17(23)14(25-13)9-19-18(24)12-6-4-11(3)5-7-12/h4-7,10,13-14,16-17,22-23H,8-9H2,1-3H3,(H,19,24)(H,20,21)/t13-,14+,16-,17+/m0/s1
InChIKeyYAMQUBBUCFJJKW-HDEZJCGLSA-N
XLogP0.13
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide 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-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[[(4-methylphenyl)carbamoylamino]methyl]oxolan-2-yl]-N-propan-2-ylacetamide
CID 162946478
N-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-3-fluorobenzamide
CID 162875462
4-methyl-N-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 60965904
2-[(2S,3R,4S,5R)-5-[[(2,4-difluorophenyl)carbamoylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-propan-2-ylacetamide
CID 40781493
N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-4-methoxybenzamide
CID 40781651
2-[(2S,4S,5R)-3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 44716537
N-[[(2S,3S,4R,5S)-5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-4-methoxybenzamide
CID 162857829
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 74735156
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 74735286
3-[[2-[(4-methylbenzoyl)amino]acetyl]amino]butanoic acid
CID 43360766
4-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzamide
CID 97180653
2-[3,4-dihydroxy-5-[[(4-methylphenyl)sulfonylamino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 74451388

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide (CID 40777833) is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide?
The InChIKey is YAMQUBBUCFJJKW-HDEZJCGLSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-10(2)20-15(21)8-13-16(22)17(23)14(25-13)9-19-18(24)12-6-4-11(3)5-7-12/h4-7,10,13-14,16-17,22-23H,8-9H2,1-3H3,(H,19,24)(H,20,21)/t13-,14+,16-,17+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide?
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide has a molecular weight of 350.42 g/mol, XLogP of 0.13, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 40777833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).