[2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate

C65H58N2O10 — CID 23366106

IUPAC[2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate
SMILESCOc1cc(-c2ccccc2)ccc1C(=O)NC1C(OC(=O)c2cc(OCc3ccccc3)c(C(=O)c3c(OCc4ccccc4)cccc3C(=O)OCc3ccccc3)c(OCc3ccccc3)c2)CC2CCC1N2C
InChIInChI=1S/C65H58N2O10/c1-67-50-32-34-53(67)61(66-63(69)51-33-31-48(35-55(51)72-2)47-27-16-7-17-28-47)58(38-50)77-64(70)49-36-56(74-40-44-21-10-4-11-22-44)60(57(37-49)75-41-45-23-12-5-13-24-45)62(68)59-52(65(71)76-42-46-25-14-6-15-26-46)29-18-30-54(59)73-39-43-19-8-3-9-20-43/h3-31,33,35-37,50,53,58,61H,32,34,38-42H2,1-2H3,(H,66,69)
InChIKeyGNEZEDVWSKWFOK-UHFFFAOYSA-N
MW1027.18 g/mol
LogP11.88
Rot. Bonds20

About [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate

[2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate (PubChem CID 23366106) has the molecular formula C65H58N2O10 and a molecular weight of 1027.18 g/mol. Its IUPAC name is [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate.

Molecular Properties

Compound Name[2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate
PubChem CID23366106
Molecular FormulaC65H58N2O10
Molecular Weight1027.18 g/mol
Exact Mass1026.41
IUPAC Name[2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate
SMILESCOc1cc(-c2ccccc2)ccc1C(=O)NC1C(OC(=O)c2cc(OCc3ccccc3)c(C(=O)c3c(OCc4ccccc4)cccc3C(=O)OCc3ccccc3)c(OCc3ccccc3)c2)CC2CCC1N2C
InChIInChI=1S/C65H58N2O10/c1-67-50-32-34-53(67)61(66-63(69)51-33-31-48(35-55(51)72-2)47-27-16-7-17-28-47)58(38-50)77-64(70)49-36-56(74-40-44-21-10-4-11-22-44)60(57(37-49)75-41-45-23-12-5-13-24-45)62(68)59-52(65(71)76-42-46-25-14-6-15-26-46)29-18-30-54(59)73-39-43-19-8-3-9-20-43/h3-31,33,35-37,50,53,58,61H,32,34,38-42H2,1-2H3,(H,66,69)
InChIKeyGNEZEDVWSKWFOK-UHFFFAOYSA-N
XLogP11.88
TPSA138.93 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds20
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.18
LogP ≤ 511.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate?
The IUPAC name of [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate (CID 23366106) is [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate.
What is the SMILES notation for [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate?
The canonical SMILES for [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate is COc1cc(-c2ccccc2)ccc1C(=O)NC1C(OC(=O)c2cc(OCc3ccccc3)c(C(=O)c3c(OCc4ccccc4)cccc3C(=O)OCc3ccccc3)c(OCc3ccccc3)c2)CC2CCC1N2C.
What is the InChIKey of [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate?
The InChIKey is GNEZEDVWSKWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H58N2O10/c1-67-50-32-34-53(67)61(66-63(69)51-33-31-48(35-55(51)72-2)47-27-16-7-17-28-47)58(38-50)77-64(70)49-36-56(74-40-44-21-10-4-11-22-44)60(57(37-49)75-41-45-23-12-5-13-24-45)62(68)59-52(65(71)76-42-46-25-14-6-15-26-46)29-18-30-54(59)73-39-43-19-8-3-9-20-43/h3-31,33,35-37,50,53,58,61H,32,34,38-42H2,1-2H3,(H,66,69).
What are the key properties of [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate?
[2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate has a molecular weight of 1027.18 g/mol, XLogP of 11.88, 20 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxy-4-phenylbenzoyl)amino]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3,5-bis(phenylmethoxy)-4-(2-phenylmethoxy-6-phenylmethoxycarbonylbenzoyl)benzoate is sourced from PubChem (CID 23366106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).