diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate

C19H23NO4 — CID 102239311

IUPACdiethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate
SMILESCCOC(=O)c1c2ccc(C(C)C)ccc-2c(C(=O)OCC)c1N
InChIInChI=1S/C19H23NO4/c1-5-23-18(21)15-13-9-7-12(11(3)4)8-10-14(13)16(17(15)20)19(22)24-6-2/h7-11H,5-6,20H2,1-4H3
InChIKeySNYGYTPPZSYSBG-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.85
Rot. Bonds5

About diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate

diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate (PubChem CID 102239311) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate
PubChem CID102239311
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namediethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate
SMILESCCOC(=O)c1c2ccc(C(C)C)ccc-2c(C(=O)OCC)c1N
InChIInChI=1S/C19H23NO4/c1-5-23-18(21)15-13-9-7-12(11(3)4)8-10-14(13)16(17(15)20)19(22)24-6-2/h7-11H,5-6,20H2,1-4H3
InChIKeySNYGYTPPZSYSBG-UHFFFAOYSA-N
XLogP3.85
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-propan-2-ylphenyl)benzoate
CID 59820247
sodium diethyl 2-amino-6-[2-[hydroxy(methyl)amino]-2-oxoethyl]azulene-1,3-dicarboxylate
CID 23296754
diethyl 2-amino-6-[(E)-3-methoxy-3-oxoprop-1-enyl]azulene-1,3-dicarboxylate
CID 6277559
ethyl (2R)-2-hydroxy-2-(4-propan-2-ylphenyl)acetate
CID 12717588
ethyl 2-amino-3-chloro-6-phenylbenzoate
CID 107529091
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
ethyl 2-(4-propan-2-ylphenyl)pentanoate
CID 83042532
ethyl 2-amino-1H-indole-3-carboxylate
CID 1476606
diethyl 2-amino-6-[2-(3-hydroxypropoxyamino)-2-oxoethyl]azulene-1,3-dicarboxylate
CID 23296764
diethyl 2-amino-6-[2-[(2-ethoxy-2-oxoethoxy)-methylamino]-2-oxoethyl]azulene-1,3-dicarboxylate
CID 23296763
ethyl 4-[[3-oxo-3-(4-propan-2-ylanilino)propanoyl]amino]benzoate
CID 108954393
ethyl 3,3-dimethyl-2-(4-propan-2-ylphenyl)butanoate
CID 167383651

Frequently Asked Questions

What is the IUPAC name of diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate?
The IUPAC name of diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate (CID 102239311) is diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate?
The canonical SMILES for diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate is CCOC(=O)c1c2ccc(C(C)C)ccc-2c(C(=O)OCC)c1N.
What is the InChIKey of diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate?
The InChIKey is SNYGYTPPZSYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-5-23-18(21)15-13-9-7-12(11(3)4)8-10-14(13)16(17(15)20)19(22)24-6-2/h7-11H,5-6,20H2,1-4H3.
What are the key properties of diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate?
diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate is sourced from PubChem (CID 102239311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).