N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

C24H29NO3 — CID 110134345

IUPACN-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc45)OCCC31C2
InChIInChI=1S/C24H29NO3/c1-14(26)25-22-23(2,3)16-12-18-21(28-11-10-24(18,22)13-16)20-17-7-5-4-6-15(17)8-9-19(20)27/h4-9,16,18,21-22,27H,10-13H2,1-3H3,(H,25,26)/t16-,18-,21+,22+,24?/m1/s1
InChIKeyGFRZNAKTPLHYLP-MMEMWEPMSA-N
MW379.50 g/mol
LogP4.56
Rot. Bonds2

About N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide

N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (PubChem CID 110134345) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.

Molecular Properties

Compound NameN-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
PubChem CID110134345
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC NameN-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide
SMILESCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc45)OCCC31C2
InChIInChI=1S/C24H29NO3/c1-14(26)25-22-23(2,3)16-12-18-21(28-11-10-24(18,22)13-16)20-17-7-5-4-6-15(17)8-9-19(20)27/h4-9,16,18,21-22,27H,10-13H2,1-3H3,(H,25,26)/t16-,18-,21+,22+,24?/m1/s1
InChIKeyGFRZNAKTPLHYLP-MMEMWEPMSA-N
XLogP4.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The IUPAC name of N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide (CID 110134345) is N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide.
What is the SMILES notation for N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The canonical SMILES for N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4c(O)ccc5ccccc45)OCCC31C2.
What is the InChIKey of N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
The InChIKey is GFRZNAKTPLHYLP-MMEMWEPMSA-N. The full InChI is InChI=1S/C24H29NO3/c1-14(26)25-22-23(2,3)16-12-18-21(28-11-10-24(18,22)13-16)20-17-7-5-4-6-15(17)8-9-19(20)27/h4-9,16,18,21-22,27H,10-13H2,1-3H3,(H,25,26)/t16-,18-,21+,22+,24?/m1/s1.
What are the key properties of N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide?
N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 4.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,6S,8R,10S)-5-(2-hydroxynaphthalen-1-yl)-9,9-dimethyl-4-oxatricyclo[6.2.1.01,6]undecan-10-yl]acetamide is sourced from PubChem (CID 110134345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).