N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide

C32H32N4O3 — CID 69349202

IUPACN-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1cccc(O)c1C2C1CC2CCC(C1)N2Cc1ncc[nH]1
InChIInChI=1S/C32H32N4O3/c1-19(37)35-26-6-3-2-5-24(26)20-9-12-25-29(17-20)39-28-8-4-7-27(38)32(28)31(25)21-15-22-10-11-23(16-21)36(22)18-30-33-13-14-34-30/h2-9,12-14,17,21-23,31,38H,10-11,15-16,18H2,1H3,(H,33,34)(H,35,37)
InChIKeyISFHBEJWOHNUBU-UHFFFAOYSA-N
MW520.63 g/mol
LogP6.42
Rot. Bonds5

About N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide

N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide (PubChem CID 69349202) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
PubChem CID69349202
Molecular FormulaC32H32N4O3
Molecular Weight520.63 g/mol
Exact Mass520.25
IUPAC NameN-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1cccc(O)c1C2C1CC2CCC(C1)N2Cc1ncc[nH]1
InChIInChI=1S/C32H32N4O3/c1-19(37)35-26-6-3-2-5-24(26)20-9-12-25-29(17-20)39-28-8-4-7-27(38)32(28)31(25)21-15-22-10-11-23(16-21)36(22)18-30-33-13-14-34-30/h2-9,12-14,17,21-23,31,38H,10-11,15-16,18H2,1H3,(H,33,34)(H,35,37)
InChIKeyISFHBEJWOHNUBU-UHFFFAOYSA-N
XLogP6.42
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 56.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]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-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide?
The IUPAC name of N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide (CID 69349202) is N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide?
The canonical SMILES for N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide is CC(=O)Nc1ccccc1-c1ccc2c(c1)Oc1cccc(O)c1C2C1CC2CCC(C1)N2Cc1ncc[nH]1.
What is the InChIKey of N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide?
The InChIKey is ISFHBEJWOHNUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O3/c1-19(37)35-26-6-3-2-5-24(26)20-9-12-25-29(17-20)39-28-8-4-7-27(38)32(28)31(25)21-15-22-10-11-23(16-21)36(22)18-30-33-13-14-34-30/h2-9,12-14,17,21-23,31,38H,10-11,15-16,18H2,1H3,(H,33,34)(H,35,37).
What are the key properties of N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide?
N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide has a molecular weight of 520.63 g/mol, XLogP of 6.42, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-hydroxy-9-[8-(1H-imidazol-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-9H-xanthen-3-yl]phenyl]acetamide is sourced from PubChem (CID 69349202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).