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

C16H30N2O5 — CID 40777832

IUPACN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H30N2O5/c1-5-10(6-2)16(22)17-8-12-15(21)14(20)11(23-12)7-13(19)18-9(3)4/h9-12,14-15,20-21H,5-8H2,1-4H3,(H,17,22)(H,18,19)/t11-,12+,14-,15+/m0/s1
InChIKeyOUMMUORTBYSLFO-MYZSUADSSA-N
MW330.43 g/mol
LogP-0.06
Rot. Bonds8

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

N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide (PubChem CID 40777832) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 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]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
PubChem CID40777832
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC NameN-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O
InChIInChI=1S/C16H30N2O5/c1-5-10(6-2)16(22)17-8-12-15(21)14(20)11(23-12)7-13(19)18-9(3)4/h9-12,14-15,20-21H,5-8H2,1-4H3,(H,17,22)(H,18,19)/t11-,12+,14-,15+/m0/s1
InChIKeyOUMMUORTBYSLFO-MYZSUADSSA-N
XLogP-0.06
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
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-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide?
The IUPAC name of N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide (CID 40777832) is N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide.
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]-2-ethylbutanamide?
The canonical SMILES for N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide is CCC(CC)C(=O)NC[C@H]1O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]1O.
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]-2-ethylbutanamide?
The InChIKey is OUMMUORTBYSLFO-MYZSUADSSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-5-10(6-2)16(22)17-8-12-15(21)14(20)11(23-12)7-13(19)18-9(3)4/h9-12,14-15,20-21H,5-8H2,1-4H3,(H,17,22)(H,18,19)/t11-,12+,14-,15+/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]-2-ethylbutanamide?
N-[[(2R,3S,4R,5S)-3,4-dihydroxy-5-[2-oxo-2-(propan-2-ylamino)ethyl]oxolan-2-yl]methyl]-2-ethylbutanamide has a molecular weight of 330.43 g/mol, XLogP of -0.06, 8 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]-2-ethylbutanamide is sourced from PubChem (CID 40777832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).