2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide

C17H29NO6 — CID 175017982

IUPAC2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide
SMILESCCCCCCCCCC=CNC(=O)C(O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H29NO6/c1-2-3-4-5-6-7-8-9-10-11-18-16(22)14(21)15-12(19)13(20)17(23)24-15/h10-15,19-21H,2-9H2,1H3,(H,18,22)/t12-,13+,14?,15+/m1/s1
InChIKeyZFPYROSMNBFAJB-VPHRMDQISA-N
MW343.42 g/mol
LogP0.77
Rot. Bonds11

About 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide

2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide (PubChem CID 175017982) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide
PubChem CID175017982
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Name2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide
SMILESCCCCCCCCCC=CNC(=O)C(O)[C@H]1OC(=O)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H29NO6/c1-2-3-4-5-6-7-8-9-10-11-18-16(22)14(21)15-12(19)13(20)17(23)24-15/h10-15,19-21H,2-9H2,1H3,(H,18,22)/t12-,13+,14?,15+/m1/s1
InChIKeyZFPYROSMNBFAJB-VPHRMDQISA-N
XLogP0.77
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide 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

tetradecyl 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate
CID 146197114
(2R,3R,4R,5S)-6-[[(E)-hexadec-1-enyl]amino]-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
CID 138523327
(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-(octadec-1-enylamino)-6-oxohexanoic acid
CID 142553475
N-[(E)-dec-1-enyl]acetamide
CID 87894534
(2S)-2-[(2R,3R,4R)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetate
CID 91825577
3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927797
(3S,4R,5R)-3-dodec-1-enyl-4-hydroxy-5-methyloxolan-2-one
CID 162927798
N,N'-bis[(E)-dodec-1-enyl]hexanediamide
CID 101279984
(3S,4R,5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
CID 6572236
N-dec-1-enylprop-2-enamide
CID 90744520
3-oct-1-enyloxiran-2-one
CID 90850629
2-methyl-N-undec-1-enylprop-2-enamide
CID 91243426

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide?
The IUPAC name of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide (CID 175017982) is 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide.
What is the SMILES notation for 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide?
The canonical SMILES for 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide is CCCCCCCCCC=CNC(=O)C(O)[C@H]1OC(=O)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide?
The InChIKey is ZFPYROSMNBFAJB-VPHRMDQISA-N. The full InChI is InChI=1S/C17H29NO6/c1-2-3-4-5-6-7-8-9-10-11-18-16(22)14(21)15-12(19)13(20)17(23)24-15/h10-15,19-21H,2-9H2,1H3,(H,18,22)/t12-,13+,14?,15+/m1/s1.
What are the key properties of 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide?
2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide has a molecular weight of 343.42 g/mol, XLogP of 0.77, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxy-N-undec-1-enylacetamide is sourced from PubChem (CID 175017982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).