benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate

C17H23NO5 — CID 23397459

IUPACbenzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate
SMILESCOC1(OC)COC2CCCC21NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-20-17(21-2)12-23-14-9-6-10-16(14,17)18-15(19)22-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,18,19)
InChIKeyWUGDICILWVZWFG-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.22
Rot. Bonds5

About benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate

benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate (PubChem CID 23397459) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate
PubChem CID23397459
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namebenzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate
SMILESCOC1(OC)COC2CCCC21NC(=O)OCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-20-17(21-2)12-23-14-9-6-10-16(14,17)18-15(19)22-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,18,19)
InChIKeyWUGDICILWVZWFG-UHFFFAOYSA-N
XLogP2.22
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate 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 benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate?
The IUPAC name of benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate (CID 23397459) is benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate.
What is the SMILES notation for benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate?
The canonical SMILES for benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate is COC1(OC)COC2CCCC21NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate?
The InChIKey is WUGDICILWVZWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-20-17(21-2)12-23-14-9-6-10-16(14,17)18-15(19)22-11-13-7-4-3-5-8-13/h3-5,7-8,14H,6,9-12H2,1-2H3,(H,18,19).
What are the key properties of benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate?
benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate has a molecular weight of 321.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3,3-dimethoxy-4,5,6,6a-tetrahydro-2H-cyclopenta[b]furan-3a-yl)carbamate is sourced from PubChem (CID 23397459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).