3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide

C20H22N2O4 — CID 100905876

IUPAC3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(CN2CC[C@H]3CCOC(=O)[C@H]32)c1
InChIInChI=1S/C20H22N2O4/c23-19(21-12-17-5-2-9-25-17)16-4-1-3-14(11-16)13-22-8-6-15-7-10-26-20(24)18(15)22/h1-5,9,11,15,18H,6-8,10,12-13H2,(H,21,23)/t15-,18-/m0/s1
InChIKeyLJCLZAQKVHPGQT-YJBOKZPZSA-N
MW354.41 g/mol
LogP2.35
Rot. Bonds5

About 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 100905876) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID100905876
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1cccc(CN2CC[C@H]3CCOC(=O)[C@H]32)c1
InChIInChI=1S/C20H22N2O4/c23-19(21-12-17-5-2-9-25-17)16-4-1-3-14(11-16)13-22-8-6-15-7-10-26-20(24)18(15)22/h1-5,9,11,15,18H,6-8,10,12-13H2,(H,21,23)/t15-,18-/m0/s1
InChIKeyLJCLZAQKVHPGQT-YJBOKZPZSA-N
XLogP2.35
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethyl)-3-[(7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl)methyl]benzamide
CID 75469966
N-(furan-2-ylmethyl)-3-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzamide
CID 95268952
N-(furan-2-ylmethyl)-3-[(3-hydroxypiperidin-1-yl)methyl]benzamide
CID 110900329
3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 43921245
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
N-(furan-2-ylmethyl)-3-(methoxymethyl)benzamide
CID 35808973
N-(furan-2-ylmethyl)-3-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]benzamide
CID 47061689
3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877912
3-[[[amino(morpholin-4-yl)methylidene]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 75532942
3-[[(Z)-[amino-[3-(morpholin-4-ylmethyl)phenyl]methylidene]amino]oxymethyl]-N-(furan-2-ylmethyl)benzamide
CID 134033244
N-(furan-2-ylmethyl)-3-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]benzamide
CID 46055949

Frequently Asked Questions

What is the IUPAC name of 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide (CID 100905876) is 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1cccc(CN2CC[C@H]3CCOC(=O)[C@H]32)c1.
What is the InChIKey of 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is LJCLZAQKVHPGQT-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(21-12-17-5-2-9-25-17)16-4-1-3-14(11-16)13-22-8-6-15-7-10-26-20(24)18(15)22/h1-5,9,11,15,18H,6-8,10,12-13H2,(H,21,23)/t15-,18-/m0/s1.
What are the key properties of 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 354.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3aS,7aS)-7-oxo-2,3,3a,4,5,7a-hexahydropyrano[3,4-b]pyrrol-1-yl]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 100905876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).