ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate

C20H23NO4 — CID 68587258

IUPACethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate
SMILESCCOC(CC(=O)C(C)(C)C)=NC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO4/c1-5-24-18(13-17(22)20(2,3)4)21-19(23)25-16-11-10-14-8-6-7-9-15(14)12-16/h6-12H,5,13H2,1-4H3
InChIKeyYAYPKRMXGVGZES-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.78
Rot. Bonds4

About ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate

ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate (PubChem CID 68587258) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate.

Molecular Properties

Compound Nameethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate
PubChem CID68587258
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate
SMILESCCOC(CC(=O)C(C)(C)C)=NC(=O)Oc1ccc2ccccc2c1
InChIInChI=1S/C20H23NO4/c1-5-24-18(13-17(22)20(2,3)4)21-19(23)25-16-11-10-14-8-6-7-9-15(14)12-16/h6-12H,5,13H2,1-4H3
InChIKeyYAYPKRMXGVGZES-UHFFFAOYSA-N
XLogP4.78
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl N-(4-methoxyphenoxy)carbonyl-4,4-dimethyl-3-oxopentanimidate
CID 68586745
1-O-ethyl 3-O-naphthalen-2-yl 2,2-diethylpropanedioate
CID 91708061
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097
naphthalen-2-yl 2-(4-ethoxyphenoxy)acetate
CID 19177831
naphthalen-2-yl 3-aminopropanoate
CID 82113672
ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate
CID 4158444
dinaphthalen-2-yl (2S)-2-hydroxybutanedioate
CID 101049041
[4-(aminomethyl)phenyl] naphthalen-2-yl carbonate
CID 86295383
dinaphthalen-2-yl (2R,3R)-2,3-dihydroxybutanedioate
CID 139091149
naphthalen-2-yl trichloromethyl carbonate
CID 141321648
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707

Frequently Asked Questions

What is the IUPAC name of ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate?
The IUPAC name of ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate (CID 68587258) is ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate.
What is the SMILES notation for ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate?
The canonical SMILES for ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate is CCOC(CC(=O)C(C)(C)C)=NC(=O)Oc1ccc2ccccc2c1.
What is the InChIKey of ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate?
The InChIKey is YAYPKRMXGVGZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-24-18(13-17(22)20(2,3)4)21-19(23)25-16-11-10-14-8-6-7-9-15(14)12-16/h6-12H,5,13H2,1-4H3.
What are the key properties of ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate?
ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate has a molecular weight of 341.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethyl-N-naphthalen-2-yloxycarbonyl-3-oxopentanimidate is sourced from PubChem (CID 68587258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).