N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C33H48N2O15 — CID 4839436

IUPACN-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(Oc2cc3c(c(OC4OC(CO)C(O)C(O)C4NC(C)=O)c2)C(=O)OCCCCC(=O)CCCCC3)OC(CO)C(O)C1O
InChIInChI=1S/C33H48N2O15/c1-16(38)34-25-29(43)27(41)22(14-36)49-32(25)47-20-12-18-8-4-3-5-9-19(40)10-6-7-11-46-31(45)24(18)21(13-20)48-33-26(35-17(2)39)30(44)28(42)23(15-37)50-33/h12-13,22-23,25-30,32-33,36-37,41-44H,3-11,14-15H2,1-2H3,(H,34,38)(H,35,39)
InChIKeyBZYGSJFQUNSVJX-UHFFFAOYSA-N
MW712.75 g/mol
LogP-1.66
Rot. Bonds8

About N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (PubChem CID 4839436) has the molecular formula C33H48N2O15 and a molecular weight of 712.75 g/mol. Its IUPAC name is N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
PubChem CID4839436
Molecular FormulaC33H48N2O15
Molecular Weight712.75 g/mol
Exact Mass712.31
IUPAC NameN-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILESCC(=O)NC1C(Oc2cc3c(c(OC4OC(CO)C(O)C(O)C4NC(C)=O)c2)C(=O)OCCCCC(=O)CCCCC3)OC(CO)C(O)C1O
InChIInChI=1S/C33H48N2O15/c1-16(38)34-25-29(43)27(41)22(14-36)49-32(25)47-20-12-18-8-4-3-5-9-19(40)10-6-7-11-46-31(45)24(18)21(13-20)48-33-26(35-17(2)39)30(44)28(42)23(15-37)50-33/h12-13,22-23,25-30,32-33,36-37,41-44H,3-11,14-15H2,1-2H3,(H,34,38)(H,35,39)
InChIKeyBZYGSJFQUNSVJX-UHFFFAOYSA-N
XLogP-1.66
TPSA259.87 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500712.75
LogP ≤ 5-1.66
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Analyze N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide 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-[(2S,3S,4R,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 71717834
N-[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-phenoxyoxan-3-yl]acetamide
CID 6988277
N-[(2S,3S,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methylphenoxy)oxan-3-yl]acetamide
CID 124762777
N-[(2S,3S,4S,5R,6R)-2-[3,5-bis(trifluoromethyl)phenoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 124727827
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(3-hydroxynaphthalen-2-yl)oxyoxan-3-yl]acetamide
CID 118070349
N-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
CID 70894252
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
CID 6542879
N-[(3S)-2-(4-aminophenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 153314272
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methoxyphenoxy)oxan-3-yl]acetamide
CID 70894255
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-oxo-1,3-benzoxathiol-5-yl)oxy]oxan-3-yl]acetamide
CID 129368934
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2-oxo-1,3-benzoxathiol-5-yl)oxy]oxan-3-yl]acetamide
CID 124748809
N-[(2S,3S,4S,5R,6R)-2-(3-ethylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 124722065

Frequently Asked Questions

What is the IUPAC name of N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The IUPAC name of N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CID 4839436) is N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.
What is the SMILES notation for N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The canonical SMILES for N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is CC(=O)NC1C(Oc2cc3c(c(OC4OC(CO)C(O)C(O)C4NC(C)=O)c2)C(=O)OCCCCC(=O)CCCCC3)OC(CO)C(O)C1O.
What is the InChIKey of N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
The InChIKey is BZYGSJFQUNSVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48N2O15/c1-16(38)34-25-29(43)27(41)22(14-36)49-32(25)47-20-12-18-8-4-3-5-9-19(40)10-6-7-11-46-31(45)24(18)21(13-20)48-33-26(35-17(2)39)30(44)28(42)23(15-37)50-33/h12-13,22-23,25-30,32-33,36-37,41-44H,3-11,14-15H2,1-2H3,(H,34,38)(H,35,39).
What are the key properties of N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide?
N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide has a molecular weight of 712.75 g/mol, XLogP of -1.66, 8 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[18-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,8-dioxo-3-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is sourced from PubChem (CID 4839436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).