N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide

C20H28N2O2 — CID 97420654

IUPACN-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide
SMILESCc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)C3CCC3)C2)c1
InChIInChI=1S/C20H28N2O2/c1-15-4-2-5-16(8-15)9-22-10-18-11-24-14-20(18,13-22)12-21-19(23)17-6-3-7-17/h2,4-5,8,17-18H,3,6-7,9-14H2,1H3,(H,21,23)/t18-,20+/m1/s1
InChIKeyUJXMCEFYARVIHW-QUCCMNQESA-N
MW328.46 g/mol
LogP2.36
Rot. Bonds5

About N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide

N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide (PubChem CID 97420654) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide
PubChem CID97420654
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide
SMILESCc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)C3CCC3)C2)c1
InChIInChI=1S/C20H28N2O2/c1-15-4-2-5-16(8-15)9-22-10-18-11-24-14-20(18,13-22)12-21-19(23)17-6-3-7-17/h2,4-5,8,17-18H,3,6-7,9-14H2,1H3,(H,21,23)/t18-,20+/m1/s1
InChIKeyUJXMCEFYARVIHW-QUCCMNQESA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide (CID 97420654) is N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide is Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)C3CCC3)C2)c1.
What is the InChIKey of N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide?
The InChIKey is UJXMCEFYARVIHW-QUCCMNQESA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-4-2-5-16(8-15)9-22-10-18-11-24-14-20(18,13-22)12-21-19(23)17-6-3-7-17/h2,4-5,8,17-18H,3,6-7,9-14H2,1H3,(H,21,23)/t18-,20+/m1/s1.
What are the key properties of N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide?
N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,6aR)-5-[(3-methylphenyl)methyl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 97420654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).