N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide

C21H26N2O4 — CID 54772069

IUPACN-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)c1
InChIInChI=1S/C21H26N2O4/c1-25-17-7-8-20(26-2)19(12-17)21(24)22-14-10-15-5-6-16(11-14)23(15)13-18-4-3-9-27-18/h3-4,7-9,12,14-16H,5-6,10-11,13H2,1-2H3,(H,22,24)/t14?,15-,16+
InChIKeyIIBZGDZRQNVEKX-MQVJKMGUSA-N
MW370.45 g/mol
LogP3.22
Rot. Bonds6

About N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide

N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide (PubChem CID 54772069) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide
PubChem CID54772069
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)c1
InChIInChI=1S/C21H26N2O4/c1-25-17-7-8-20(26-2)19(12-17)21(24)22-14-10-15-5-6-16(11-14)23(15)13-18-4-3-9-27-18/h3-4,7-9,12,14-16H,5-6,10-11,13H2,1-2H3,(H,22,24)/t14?,15-,16+
InChIKeyIIBZGDZRQNVEKX-MQVJKMGUSA-N
XLogP3.22
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide 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-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide?
The IUPAC name of N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide (CID 54772069) is N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide.
What is the SMILES notation for N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide?
The canonical SMILES for N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)c1.
What is the InChIKey of N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide?
The InChIKey is IIBZGDZRQNVEKX-MQVJKMGUSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-17-7-8-20(26-2)19(12-17)21(24)22-14-10-15-5-6-16(11-14)23(15)13-18-4-3-9-27-18/h3-4,7-9,12,14-16H,5-6,10-11,13H2,1-2H3,(H,22,24)/t14?,15-,16+.
What are the key properties of N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide?
N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethoxybenzamide is sourced from PubChem (CID 54772069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).