N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine

C26H31NO5 — CID 42624722

IUPACN-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine
SMILESC=C[C@H]([C@@H]1O[C@@]2(C=C)OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C26H31NO5/c1-5-21(27(28)17-19-13-9-7-10-14-19)22-23(29-18-20-15-11-8-12-16-20)24-26(6-2,30-22)32-25(3,4)31-24/h5-16,21-24,28H,1-2,17-18H2,3-4H3/t21-,22+,23-,24+,26+/m1/s1
InChIKeyRYKCSWLADDONHZ-OXCVBPRPSA-N
MW437.54 g/mol
LogP4.45
Rot. Bonds9

About N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine

N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine (PubChem CID 42624722) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine.

Molecular Properties

Compound NameN-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine
PubChem CID42624722
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC NameN-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine
SMILESC=C[C@H]([C@@H]1O[C@@]2(C=C)OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(O)Cc1ccccc1
InChIInChI=1S/C26H31NO5/c1-5-21(27(28)17-19-13-9-7-10-14-19)22-23(29-18-20-15-11-8-12-16-20)24-26(6-2,30-22)32-25(3,4)31-24/h5-16,21-24,28H,1-2,17-18H2,3-4H3/t21-,22+,23-,24+,26+/m1/s1
InChIKeyRYKCSWLADDONHZ-OXCVBPRPSA-N
XLogP4.45
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine with MolForge

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Related Compounds

(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]-N-benzylprop-2-en-1-amine
CID 42624758
N-[(1S)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine
CID 10669321
[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 42624752
N-[(1R)-1-[(3aS,4S,6S,6aS)-4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]prop-2-enyl]-N-benzylhydroxylamine
CID 101074511
(2S)-2-[(3aR,5R,6S,6aR)-2,2,3a-trimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxyacetic acid
CID 20753324
N-benzyl-N-[(1S)-1-[(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine
CID 101109090
tert-butyl (4S)-4-[(1S)-1-[benzyl(hydroxy)amino]prop-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 101074524
(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 14409479
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
CID 3257099
CID 3257099
(3aS,5R,6R,6aS)-2,2-dimethyl-6-phenylmethoxy-3a-(phenylmethoxymethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11269526
N-benzyl-N-(4-methylhex-1-en-3-yl)hydroxylamine
CID 10059288

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine?
The IUPAC name of N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine (CID 42624722) is N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine.
What is the SMILES notation for N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine?
The canonical SMILES for N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine is C=C[C@H]([C@@H]1O[C@@]2(C=C)OC(C)(C)O[C@H]2[C@@H]1OCc1ccccc1)N(O)Cc1ccccc1.
What is the InChIKey of N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine?
The InChIKey is RYKCSWLADDONHZ-OXCVBPRPSA-N. The full InChI is InChI=1S/C26H31NO5/c1-5-21(27(28)17-19-13-9-7-10-14-19)22-23(29-18-20-15-11-8-12-16-20)24-26(6-2,30-22)32-25(3,4)31-24/h5-16,21-24,28H,1-2,17-18H2,3-4H3/t21-,22+,23-,24+,26+/m1/s1.
What are the key properties of N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine?
N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine has a molecular weight of 437.54 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(3aS,5S,6R,6aS)-3a-ethenyl-2,2-dimethyl-6-phenylmethoxy-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-5-yl]prop-2-enyl]-N-benzylhydroxylamine is sourced from PubChem (CID 42624722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).