N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide

C31H33NO6 — CID 10768163

IUPACN-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide
SMILESCC(=O)N[C@]12C[C@@H](OCc3ccccc3)[C@@H]3O[C@H](O[C@H]3[C@H]1OCc1ccccc1)[C@H]2OCc1ccccc1
InChIInChI=1S/C31H33NO6/c1-21(33)32-31-17-25(34-18-22-11-5-2-6-12-22)26-27(28(31)35-19-23-13-7-3-8-14-23)38-30(37-26)29(31)36-20-24-15-9-4-10-16-24/h2-16,25-30H,17-20H2,1H3,(H,32,33)/t25-,26+,27-,28-,29-,30-,31-/m1/s1
InChIKeySEDCRCHXXKEFBF-RGUNINMJSA-N
MW515.61 g/mol
LogP4.14
Rot. Bonds10

About N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide

N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide (PubChem CID 10768163) has the molecular formula C31H33NO6 and a molecular weight of 515.61 g/mol. Its IUPAC name is N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide
PubChem CID10768163
Molecular FormulaC31H33NO6
Molecular Weight515.61 g/mol
Exact Mass515.23
IUPAC NameN-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide
SMILESCC(=O)N[C@]12C[C@@H](OCc3ccccc3)[C@@H]3O[C@H](O[C@H]3[C@H]1OCc1ccccc1)[C@H]2OCc1ccccc1
InChIInChI=1S/C31H33NO6/c1-21(33)32-31-17-25(34-18-22-11-5-2-6-12-22)26-27(28(31)35-19-23-13-7-3-8-14-23)38-30(37-26)29(31)36-20-24-15-9-4-10-16-24/h2-16,25-30H,17-20H2,1H3,(H,32,33)/t25-,26+,27-,28-,29-,30-,31-/m1/s1
InChIKeySEDCRCHXXKEFBF-RGUNINMJSA-N
XLogP4.14
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-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

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide?
The IUPAC name of N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide (CID 10768163) is N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide.
What is the SMILES notation for N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide?
The canonical SMILES for N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide is CC(=O)N[C@]12C[C@@H](OCc3ccccc3)[C@@H]3O[C@H](O[C@H]3[C@H]1OCc1ccccc1)[C@H]2OCc1ccccc1.
What is the InChIKey of N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide?
The InChIKey is SEDCRCHXXKEFBF-RGUNINMJSA-N. The full InChI is InChI=1S/C31H33NO6/c1-21(33)32-31-17-25(34-18-22-11-5-2-6-12-22)26-27(28(31)35-19-23-13-7-3-8-14-23)38-30(37-26)29(31)36-20-24-15-9-4-10-16-24/h2-16,25-30H,17-20H2,1H3,(H,32,33)/t25-,26+,27-,28-,29-,30-,31-/m1/s1.
What are the key properties of N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide?
N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide has a molecular weight of 515.61 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S,4R,6R,7S,8S,10S)-4,7,10-tris(phenylmethoxy)-2,9-dioxatricyclo[4.3.1.03,8]decan-6-yl]acetamide is sourced from PubChem (CID 10768163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).