8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide

C30H32Cl2N2O2 — CID 44574962

IUPAC8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCOCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C30H32Cl2N2O2/c1-36-18-17-33-29(35)30(21-9-3-2-4-10-21)19-22-15-16-23(20-30)34(22)28(24-11-5-7-13-26(24)31)25-12-6-8-14-27(25)32/h2-14,22-23,28H,15-20H2,1H3,(H,33,35)
InChIKeyRYSIREMKKVFZGH-UHFFFAOYSA-N
MW523.50 g/mol
LogP6.41
Rot. Bonds8

About 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide

8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 44574962) has the molecular formula C30H32Cl2N2O2 and a molecular weight of 523.50 g/mol. Its IUPAC name is 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID44574962
Molecular FormulaC30H32Cl2N2O2
Molecular Weight523.50 g/mol
Exact Mass522.18
IUPAC Name8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
SMILESCOCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C30H32Cl2N2O2/c1-36-18-17-33-29(35)30(21-9-3-2-4-10-21)19-22-15-16-23(20-30)34(22)28(24-11-5-7-13-26(24)31)25-12-6-8-14-27(25)32/h2-14,22-23,28H,15-20H2,1H3,(H,33,35)
InChIKeyRYSIREMKKVFZGH-UHFFFAOYSA-N
XLogP6.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.50
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide with MolForge

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Related Compounds

8-[(2-chlorophenyl)-(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 71196947
8-[bis(2-chlorophenyl)methyl]-3-(fluoromethyl)-3-phenyl-8-azabicyclo[3.2.1]octane
CID 44574706
methyl (1S,5R)-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 70100630
N-[[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-pyridin-2-yl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
CID 44562654
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436
1-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-(2-methoxyethyl)urea
CID 110303042
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
N-(methoxymethyl)-1-phenylcyclopropane-1-carboxamide
CID 50941599
3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 72920634
(3S)-3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97283033
3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 126833913
1-(4-acetamidophenyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821434

Frequently Asked Questions

What is the IUPAC name of 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide (CID 44574962) is 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide is COCCNC(=O)C1(c2ccccc2)CC2CCC(C1)N2C(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is RYSIREMKKVFZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N2O2/c1-36-18-17-33-29(35)30(21-9-3-2-4-10-21)19-22-15-16-23(20-30)34(22)28(24-11-5-7-13-26(24)31)25-12-6-8-14-27(25)32/h2-14,22-23,28H,15-20H2,1H3,(H,33,35).
What are the key properties of 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide?
8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 523.50 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[bis(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-3-phenyl-8-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 44574962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).