ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate

C17H21NO3 — CID 21221595

IUPACethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate
SMILESCCOC(=O)c1ccc2oc3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C17H21NO3/c1-4-20-17(19)11-5-7-15-13(9-11)14-10-12(18(2)3)6-8-16(14)21-15/h5,7,9,12H,4,6,8,10H2,1-3H3
InChIKeyGPZBLLFIAMLNIB-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.03
Rot. Bonds3

About ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate

ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate (PubChem CID 21221595) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate
PubChem CID21221595
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate
SMILESCCOC(=O)c1ccc2oc3c(c2c1)CC(N(C)C)CC3
InChIInChI=1S/C17H21NO3/c1-4-20-17(19)11-5-7-15-13(9-11)14-10-12(18(2)3)6-8-16(14)21-15/h5,7,9,12H,4,6,8,10H2,1-3H3
InChIKeyGPZBLLFIAMLNIB-UHFFFAOYSA-N
XLogP3.03
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 12891788
ethyl 2-methyl-4-oxochromene-6-carboxylate
CID 15939970
ethyl 4-amino-3-[4-(dimethylamino)piperidin-1-yl]benzoate
CID 82777264
8-amino-6,7,8,9-tetrahydrodibenzofuran-2-carboxamide
CID 70277670
N-[8-(dipropylamino)-6,7,8,9-tetrahydrodibenzofuran-2-yl]-4-fluorobenzamide
CID 21221636
ethyl 3-hydroxy-4-oxo-2-phenylchromene-6-carboxylate
CID 23286075
ethyl 4-(dimethylamino)benzoate;xanthen-9-one
CID 67481902
ethyl 7-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 19386054
ethyl N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 54344220
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919
2-methyl-N-[(8R)-8-methyl-6,7,8,9-tetrahydrodibenzofuran-2-yl]benzenesulfonamide
CID 7064459
6-ethoxycarbonyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452698

Frequently Asked Questions

What is the IUPAC name of ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate?
The IUPAC name of ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate (CID 21221595) is ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate.
What is the SMILES notation for ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate?
The canonical SMILES for ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate is CCOC(=O)c1ccc2oc3c(c2c1)CC(N(C)C)CC3.
What is the InChIKey of ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate?
The InChIKey is GPZBLLFIAMLNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-4-20-17(19)11-5-7-15-13(9-11)14-10-12(18(2)3)6-8-16(14)21-15/h5,7,9,12H,4,6,8,10H2,1-3H3.
What are the key properties of ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate?
ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-(dimethylamino)-6,7,8,9-tetrahydrodibenzofuran-2-carboxylate is sourced from PubChem (CID 21221595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).