N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide

C23H28N2O3 — CID 71846159

IUPACN-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC3CCCCC32c2ccccc2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-27-20-12-11-17(14-21(20)28-2)15-24-22(26)25-16-19-10-6-7-13-23(19,25)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1-2H3,(H,24,26)
InChIKeyRFNREVKYJNTLFD-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.31
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide (PubChem CID 71846159) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
PubChem CID71846159
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
SMILESCOc1ccc(CNC(=O)N2CC3CCCCC32c2ccccc2)cc1OC
InChIInChI=1S/C23H28N2O3/c1-27-20-12-11-17(14-21(20)28-2)15-24-22(26)25-16-19-10-6-7-13-23(19,25)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1-2H3,(H,24,26)
InChIKeyRFNREVKYJNTLFD-UHFFFAOYSA-N
XLogP4.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide with MolForge

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Related Compounds

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 75397417
(1R,6S)-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 97158351
(1S,6S)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide
CID 97257126
N-[(3-ethoxy-4-methoxyphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 100600748
N-[(3,4-dimethoxyphenyl)methyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 38198135
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 33042340
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455330
1-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097486
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
1-amino-N-[(3,4-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119263568
(3R)-1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxypyrrolidine-3-carboxamide
CID 95769086
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide (CID 71846159) is N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide is COc1ccc(CNC(=O)N2CC3CCCCC32c2ccccc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide?
The InChIKey is RFNREVKYJNTLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-20-12-11-17(14-21(20)28-2)15-24-22(26)25-16-19-10-6-7-13-23(19,25)18-8-4-3-5-9-18/h3-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-6-phenyl-7-azabicyclo[4.2.0]octane-7-carboxamide is sourced from PubChem (CID 71846159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).