diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate

C21H28N2O6 — CID 91531174

IUPACdiethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILESCCOC(=O)C1C2C(C(=O)Nc3ccccc3OC)CC(N)(C(=O)OCC)C12C
InChIInChI=1S/C21H28N2O6/c1-5-28-18(25)16-15-12(11-21(22,20(15,16)3)19(26)29-6-2)17(24)23-13-9-7-8-10-14(13)27-4/h7-10,12,15-16H,5-6,11,22H2,1-4H3,(H,23,24)
InChIKeyHOZCCUDVEJOWLC-UHFFFAOYSA-N
MW404.46 g/mol
LogP1.73
Rot. Bonds7

About diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate

diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate (PubChem CID 91531174) has the molecular formula C21H28N2O6 and a molecular weight of 404.46 g/mol. Its IUPAC name is diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate
PubChem CID91531174
Molecular FormulaC21H28N2O6
Molecular Weight404.46 g/mol
Exact Mass404.19
IUPAC Namediethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate
SMILESCCOC(=O)C1C2C(C(=O)Nc3ccccc3OC)CC(N)(C(=O)OCC)C12C
InChIInChI=1S/C21H28N2O6/c1-5-28-18(25)16-15-12(11-21(22,20(15,16)3)19(26)29-6-2)17(24)23-13-9-7-8-10-14(13)27-4/h7-10,12,15-16H,5-6,11,22H2,1-4H3,(H,23,24)
InChIKeyHOZCCUDVEJOWLC-UHFFFAOYSA-N
XLogP1.73
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate with MolForge

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Related Compounds

diethyl (1S,2R,4S,5S,6R)-4-[(2-methoxyphenyl)carbamoyl]-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-2,6-dicarboxylate
CID 91416381
ethyl 1-amino-2-(2-methoxyphenyl)cyclopropane-1-carboxylate
CID 82363625
2-hydroxy-N-(2-methoxyphenyl)cyclopentane-1-carboxamide
CID 110013580
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014
1-N,1-N-diethyl-2-N-(2-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139341
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052
ethyl (2E)-2-hydroxyimino-3-(2-methoxyanilino)-3-oxopropanoate
CID 6416707
trans-ethyl (1S,2S)-2-[(2-fluorophenyl)carbamoyl]cyclopropane-1-carboxylate
CID 178138593
trans-(1S,2S)-2-[(2-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6940396
1-N-(2-methoxyphenyl)-2-N-(2-methylpropyl)cyclopropane-1,2-dicarboxamide
CID 109131530
ethyl 2-[2-[(4S)-5-[(2-methoxyphenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate
CID 1302656
4-(aminomethyl)-N-(2-methoxyphenyl)cyclohexane-1-carboxamide
CID 79527313

Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate?
The IUPAC name of diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate (CID 91531174) is diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate?
The canonical SMILES for diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate is CCOC(=O)C1C2C(C(=O)Nc3ccccc3OC)CC(N)(C(=O)OCC)C12C.
What is the InChIKey of diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate?
The InChIKey is HOZCCUDVEJOWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6/c1-5-28-18(25)16-15-12(11-21(22,20(15,16)3)19(26)29-6-2)17(24)23-13-9-7-8-10-14(13)27-4/h7-10,12,15-16H,5-6,11,22H2,1-4H3,(H,23,24).
What are the key properties of diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate?
diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate has a molecular weight of 404.46 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-4-[(2-methoxyphenyl)carbamoyl]-1-methylbicyclo[3.1.0]hexane-2,6-dicarboxylate is sourced from PubChem (CID 91531174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).