(5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

C25H27NO5 — CID 7839993

IUPAC(5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)o1
InChIInChI=1S/C25H27NO5/c1-25(2,3)15-9-11-20-18(13-15)22(17-7-5-6-8-19(17)26-20)24(28)30-14-16-10-12-21(31-16)23(27)29-4/h5-8,10,12,15H,9,11,13-14H2,1-4H3/t15-/m1/s1
InChIKeyGVEHBCHFYGKXKD-OAHLLOKOSA-N
MW421.49 g/mol
LogP5.12
Rot. Bonds4

About (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (PubChem CID 7839993) has the molecular formula C25H27NO5 and a molecular weight of 421.49 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
PubChem CID7839993
Molecular FormulaC25H27NO5
Molecular Weight421.49 g/mol
Exact Mass421.19
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)o1
InChIInChI=1S/C25H27NO5/c1-25(2,3)15-9-11-20-18(13-15)22(17-7-5-6-8-19(17)26-20)24(28)30-14-16-10-12-21(31-16)23(27)29-4/h5-8,10,12,15H,9,11,13-14H2,1-4H3/t15-/m1/s1
InChIKeyGVEHBCHFYGKXKD-OAHLLOKOSA-N
XLogP5.12
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.49
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(carbamoylamino)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2691062
2-(4-methoxyphenoxy)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3658736
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7872571
[2-(4-fluorophenyl)-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7840037
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839961
[2-(2-methylpropylamino)-2-oxoethyl] (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839977
[2-(cyclooctylamino)-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3898235
(4-methoxycarbonylphenyl)methyl 2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 4002903
(2-morpholin-4-yl-2-oxoethyl) (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2585280
[2-(2-iodoanilino)-2-oxoethyl] 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 23969723
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] (2S)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 7839974
2-(4-methylphenoxy)ethyl 2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate
CID 3272240

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate (CID 7839993) is (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is COC(=O)c1ccc(COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
The InChIKey is GVEHBCHFYGKXKD-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H27NO5/c1-25(2,3)15-9-11-20-18(13-15)22(17-7-5-6-8-19(17)26-20)24(28)30-14-16-10-12-21(31-16)23(27)29-4/h5-8,10,12,15H,9,11,13-14H2,1-4H3/t15-/m1/s1.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate has a molecular weight of 421.49 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl (2R)-2-tert-butyl-1,2,3,4-tetrahydroacridine-9-carboxylate is sourced from PubChem (CID 7839993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).