N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine

C20H25NO6 — CID 10523498

IUPACN-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine
SMILESCO[C@H]1O[C@H]([C@H](c2ccco2)N(O)Cc2ccccc2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C20H25NO6/c1-20(2)26-17-16(25-19(23-3)18(17)27-20)15(14-10-7-11-24-14)21(22)12-13-8-5-4-6-9-13/h4-11,15-19,22H,12H2,1-3H3/t15-,16+,17-,18-,19-/m0/s1
InChIKeySZFCBRMPLQQTPV-PJVZLEMVSA-N
MW375.42 g/mol
LogP3.10
Rot. Bonds6

About N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine

N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine (PubChem CID 10523498) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine.

Molecular Properties

Compound NameN-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine
PubChem CID10523498
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC NameN-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine
SMILESCO[C@H]1O[C@H]([C@H](c2ccco2)N(O)Cc2ccccc2)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C20H25NO6/c1-20(2)26-17-16(25-19(23-3)18(17)27-20)15(14-10-7-11-24-14)21(22)12-13-8-5-4-6-9-13/h4-11,15-19,22H,12H2,1-3H3/t15-,16+,17-,18-,19-/m0/s1
InChIKeySZFCBRMPLQQTPV-PJVZLEMVSA-N
XLogP3.10
TPSA73.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine?
The IUPAC name of N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine (CID 10523498) is N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine.
What is the SMILES notation for N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine?
The canonical SMILES for N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine is CO[C@H]1O[C@H]([C@H](c2ccco2)N(O)Cc2ccccc2)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine?
The InChIKey is SZFCBRMPLQQTPV-PJVZLEMVSA-N. The full InChI is InChI=1S/C20H25NO6/c1-20(2)26-17-16(25-19(23-3)18(17)27-20)15(14-10-7-11-24-14)21(22)12-13-8-5-4-6-9-13/h4-11,15-19,22H,12H2,1-3H3/t15-,16+,17-,18-,19-/m0/s1.
What are the key properties of N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine?
N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine has a molecular weight of 375.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[(3aS,4S,6R,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine is sourced from PubChem (CID 10523498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).