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

C15H21ClN2O5 — CID 155972251

IUPACN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2-aminoethoxy)benzamide;hydrochloride
SMILESCl.NCCOc1cccc(C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)c1
InChIInChI=1S/C15H20N2O5.ClH/c16-4-5-20-10-3-1-2-9(6-10)15(19)17-11-7-21-14-12(18)8-22-13(11)14;/h1-3,6,11-14,18H,4-5,7-8,16H2,(H,17,19);1H/t11-,12-,13-,14-;/m1./s1
InChIKeyHAJRXQOLCOTZGW-UXRYCCRHSA-N
MW344.80 g/mol
LogP-0.30
Rot. Bonds5

About 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

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 (PubChem CID 155972251) has the molecular formula C15H21ClN2O5 and a molecular weight of 344.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2-aminoethoxy)benzamide;hydrochloride
PubChem CID155972251
Molecular FormulaC15H21ClN2O5
Molecular Weight344.80 g/mol
Exact Mass344.11
IUPAC NameN-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-(2-aminoethoxy)benzamide;hydrochloride
SMILESCl.NCCOc1cccc(C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)c1
InChIInChI=1S/C15H20N2O5.ClH/c16-4-5-20-10-3-1-2-9(6-10)15(19)17-11-7-21-14-12(18)8-22-13(11)14;/h1-3,6,11-14,18H,4-5,7-8,16H2,(H,17,19);1H/t11-,12-,13-,14-;/m1./s1
InChIKeyHAJRXQOLCOTZGW-UXRYCCRHSA-N
XLogP-0.30
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-ethoxybenzamide
CID 155914260
3-(2-aminoethoxy)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 119070601
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-phenylbenzamide
CID 155917126
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810
N-(3-hydroxycyclobutyl)-3-(2-methoxyethoxy)benzamide
CID 126818884
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyethoxy)benzamide
CID 119609171
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyrazol-1-ylbenzamide
CID 155912648
3-(2-ethoxyethoxy)-N-[(3S,4R)-3-methoxyoxan-4-yl]benzamide
CID 91761869
methyl 3-[[(3S,3aR,6R,6aS)-6-(ethylcarbamoyloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]carbamoyl]benzoate
CID 11885943
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
N-[(3S)-3-(cyclopropanecarbonylamino)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-pyridin-3-yloxybenzamide
CID 70968785
3-[2-(oxetan-3-yloxy)ethoxy]benzohydrazide
CID 102608462

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cl.NCCOc1cccc(C(=O)N[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3O)c1.
What is the InChIKey of 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?
The InChIKey is HAJRXQOLCOTZGW-UXRYCCRHSA-N. The full InChI is InChI=1S/C15H20N2O5.ClH/c16-4-5-20-10-3-1-2-9(6-10)15(19)17-11-7-21-14-12(18)8-22-13(11)14;/h1-3,6,11-14,18H,4-5,7-8,16H2,(H,17,19);1H/t11-,12-,13-,14-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 344.80 g/mol, XLogP of -0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155972251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).