N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide

C13H16N2O6 — CID 134287699

IUPACN-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide
SMILESNC1COC2C(NC(=O)c3cc(O)c(O)c(O)c3)COC12
InChIInChI=1S/C13H16N2O6/c14-6-3-20-12-7(4-21-11(6)12)15-13(19)5-1-8(16)10(18)9(17)2-5/h1-2,6-7,11-12,16-18H,3-4,14H2,(H,15,19)
InChIKeyBJMLFJOMIXSJTG-UHFFFAOYSA-N
MW296.28 g/mol
LogP-0.97
Rot. Bonds2

About N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide

N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide (PubChem CID 134287699) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide
PubChem CID134287699
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC NameN-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide
SMILESNC1COC2C(NC(=O)c3cc(O)c(O)c(O)c3)COC12
InChIInChI=1S/C13H16N2O6/c14-6-3-20-12-7(4-21-11(6)12)15-13(19)5-1-8(16)10(18)9(17)2-5/h1-2,6-7,11-12,16-18H,3-4,14H2,(H,15,19)
InChIKeyBJMLFJOMIXSJTG-UHFFFAOYSA-N
XLogP-0.97
TPSA134.27 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide 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

methyl 3-[[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]-5-hydroxybenzoate
CID 156585419
3,4-dihydroxy-5-methyl-N-[(1S,2S)-2-[(3,4,5-trihydroxybenzoyl)amino]cyclohexyl]benzamide
CID 58076376
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2-aminoethoxy)benzamide;hydrochloride
CID 155972251
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-chloro-4-methylbenzamide
CID 155912978
(3S,6S)-3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol
CID 126688683
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-2,4,6-trimethylbenzamide
CID 155915781
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 156585287
N-(2-aminocyclopropyl)-4-chlorobenzamide
CID 43593825
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(1,2,4-triazol-4-yl)benzamide
CID 156585551
[6-(3,4,5-trihydroxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-amino-3,5-dihydroxybenzoate
CID 163515681
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide?
The IUPAC name of N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide (CID 134287699) is N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide.
What is the SMILES notation for N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide?
The canonical SMILES for N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide is NC1COC2C(NC(=O)c3cc(O)c(O)c(O)c3)COC12.
What is the InChIKey of N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide?
The InChIKey is BJMLFJOMIXSJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c14-6-3-20-12-7(4-21-11(6)12)15-13(19)5-1-8(16)10(18)9(17)2-5/h1-2,6-7,11-12,16-18H,3-4,14H2,(H,15,19).
What are the key properties of N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide?
N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide has a molecular weight of 296.28 g/mol, XLogP of -0.97, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl)-3,4,5-trihydroxybenzamide is sourced from PubChem (CID 134287699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).