1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate

C21H22NO4- — CID 58785977

IUPAC1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate
SMILESCCCC(/N=C(\[O-])OCC1c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C21H23NO4/c1-3-8-19(20(23)25-2)22-21(24)26-13-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h4-7,9-12,18-19H,3,8,13H2,1-2H3,(H,22,24)/p-1
InChIKeyJRLLXFSXXIQTEX-UHFFFAOYSA-M
MW352.41 g/mol
LogP2.87
Rot. Bonds6

About 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate

1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate (PubChem CID 58785977) has the molecular formula C21H22NO4- and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate
PubChem CID58785977
Molecular FormulaC21H22NO4-
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate
SMILESCCCC(/N=C(\[O-])OCC1c2ccccc2-c2ccccc21)C(=O)OC
InChIInChI=1S/C21H23NO4/c1-3-8-19(20(23)25-2)22-21(24)26-13-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h4-7,9-12,18-19H,3,8,13H2,1-2H3,(H,22,24)/p-1
InChIKeyJRLLXFSXXIQTEX-UHFFFAOYSA-M
XLogP2.87
TPSA70.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(9H-fluoren-9-ylmethoxy)-N-[5-[[9H-fluoren-9-ylmethoxy(oxido)methylidene]amino]-6-oxoheptyl]methanimidate
CID 59467860
CID 119079653
CID 119079653
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263
methyl 2-[2-(9H-fluoren-9-ylmethoxycarbonyl)hydrazinyl]-2-oxoacetate
CID 143528146
N-[(2S)-1-(4-carboxy-2,2-dimethyl-1,3-oxazolidin-3-yl)-4-methoxy-1,4-dioxobutan-2-yl]-1-(9H-fluoren-9-ylmethoxy)methanimidate
CID 91057880
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178
1-(9H-fluoren-9-ylmethoxy)-N-[2-hydroxy-1-oxo-1-[(2-oxo-2-prop-2-enoxyethyl)amino]hexan-3-yl]methanimidate;1-(9H-fluoren-9-ylmethoxy)-N-(1-oxopentan-2-yl)methanimidate
CID 158047930
9H-fluoren-9-ylmethyl 2-(methoxyamino)acetate
CID 146329215
CID 101120722
CID 101120722
4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(sulfanylmethyl)butanedioate
CID 159838326
9H-fluoren-9-ylmethyl N-heptan-2-ylcarbamate
CID 118461270

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate (CID 58785977) is 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate is CCCC(/N=C(\[O-])OCC1c2ccccc2-c2ccccc21)C(=O)OC.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate?
The InChIKey is JRLLXFSXXIQTEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H23NO4/c1-3-8-19(20(23)25-2)22-21(24)26-13-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h4-7,9-12,18-19H,3,8,13H2,1-2H3,(H,22,24)/p-1.
What are the key properties of 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate?
1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate has a molecular weight of 352.41 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxy)-N-(1-methoxy-1-oxopentan-2-yl)methanimidate is sourced from PubChem (CID 58785977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).