N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide

C19H34N2O5 — CID 25390242

IUPACN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)N2CCC(C)CC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H34N2O5/c1-4-13(5-2)19(25)20-11-15-18(24)17(23)14(26-15)10-16(22)21-8-6-12(3)7-9-21/h12-15,17-18,23-24H,4-11H2,1-3H3,(H,20,25)/t14-,15+,17-,18+/m0/s1
InChIKeyXMMXRBQPQJXSIS-CIRFHOKZSA-N
MW370.49 g/mol
LogP0.68
Rot. Bonds7

About N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide

N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide (PubChem CID 25390242) has the molecular formula C19H34N2O5 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
PubChem CID25390242
Molecular FormulaC19H34N2O5
Molecular Weight370.49 g/mol
Exact Mass370.25
IUPAC NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)N2CCC(C)CC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C19H34N2O5/c1-4-13(5-2)19(25)20-11-15-18(24)17(23)14(26-15)10-16(22)21-8-6-12(3)7-9-21/h12-15,17-18,23-24H,4-11H2,1-3H3,(H,20,25)/t14-,15+,17-,18+/m0/s1
InChIKeyXMMXRBQPQJXSIS-CIRFHOKZSA-N
XLogP0.68
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide (CID 25390242) is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide.
What is the SMILES notation for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)N2CCC(C)CC2)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide?
The InChIKey is XMMXRBQPQJXSIS-CIRFHOKZSA-N. The full InChI is InChI=1S/C19H34N2O5/c1-4-13(5-2)19(25)20-11-15-18(24)17(23)14(26-15)10-16(22)21-8-6-12(3)7-9-21/h12-15,17-18,23-24H,4-11H2,1-3H3,(H,20,25)/t14-,15+,17-,18+/m0/s1.
What are the key properties of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide?
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide has a molecular weight of 370.49 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 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-(4-methylpiperidin-1-yl)-2-oxoethyl]oxolan-2-yl]methyl]-2-ethylbutanamide is sourced from PubChem (CID 25390242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).