N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

C17H31N3O5 — CID 25390405

IUPACN-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H31N3O5/c1-20(2)8-7-18-14(21)9-12-15(22)16(23)13(25-12)10-19-17(24)11-5-3-4-6-11/h11-13,15-16,22-23H,3-10H2,1-2H3,(H,18,21)(H,19,24)/t12-,13+,15-,16+/m0/s1
InChIKeyXYWXHKGYIRMUAS-LQKXBSAESA-N
MW357.45 g/mol
LogP-1.15
Rot. Bonds8

About N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide

N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 25390405) has the molecular formula C17H31N3O5 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
PubChem CID25390405
Molecular FormulaC17H31N3O5
Molecular Weight357.45 g/mol
Exact Mass357.23
IUPAC NameN-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide
SMILESCN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H31N3O5/c1-20(2)8-7-18-14(21)9-12-15(22)16(23)13(25-12)10-19-17(24)11-5-3-4-6-11/h11-13,15-16,22-23H,3-10H2,1-2H3,(H,18,21)(H,19,24)/t12-,13+,15-,16+/m0/s1
InChIKeyXYWXHKGYIRMUAS-LQKXBSAESA-N
XLogP-1.15
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide 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-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
2-[3,4-dihydroxy-5-[[(4-methylphenyl)sulfonylamino]methyl]oxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 74451388
N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-4-methoxybenzamide
CID 40781651
N-[2-(dimethylamino)ethyl]-2-[(1S,2R)-2-hydroxycyclohexyl]acetamide;oxalic acid
CID 67929926
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-[[4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide
CID 74578308
N-[[(2R,3R,4S,5S)-4-hydroxy-5-(hydroxymethyl)-3-[methyl(2-phenylethyl)amino]oxolan-2-yl]methyl]cyclopentanecarboxamide;hydrochloride
CID 146118861
2-[3,4-dihydroxy-5-[(propan-2-ylcarbamoylamino)methyl]oxolan-2-yl]-N-(2-methoxyethyl)acetamide
CID 74735156
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465
N-[2-(dimethylamino)ethyl]-2-[(1S,2S)-2-propanoylcyclohexyl]acetamide
CID 143839933
N-[[3,4-dihydroxy-5-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 163152481
2-[4-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)ethyl]acetamide
CID 63613727

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide (CID 25390405) is N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is CN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2CCCC2)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is XYWXHKGYIRMUAS-LQKXBSAESA-N. The full InChI is InChI=1S/C17H31N3O5/c1-20(2)8-7-18-14(21)9-12-15(22)16(23)13(25-12)10-19-17(24)11-5-3-4-6-11/h11-13,15-16,22-23H,3-10H2,1-2H3,(H,18,21)(H,19,24)/t12-,13+,15-,16+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide?
N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 357.45 g/mol, XLogP of -1.15, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R,5S)-5-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 25390405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).