9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C24H35ClN2O3 — CID 120989363

IUPAC9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCOc1cc2c(cc1C1CC1NC(=O)C1CC3CCCC(C1)C3N)OC(C)C2.Cl
InChIInChI=1S/C24H34N2O3.ClH/c1-3-28-22-10-16-7-13(2)29-21(16)12-19(22)18-11-20(18)26-24(27)17-8-14-5-4-6-15(9-17)23(14)25;/h10,12-15,17-18,20,23H,3-9,11,25H2,1-2H3,(H,26,27);1H
InChIKeyYJKBPOYTPIGLSD-UHFFFAOYSA-N
MW435.01 g/mol
LogP3.96
Rot. Bonds5

About 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120989363) has the molecular formula C24H35ClN2O3 and a molecular weight of 435.01 g/mol. Its IUPAC name is 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120989363
Molecular FormulaC24H35ClN2O3
Molecular Weight435.01 g/mol
Exact Mass434.23
IUPAC Name9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCCOc1cc2c(cc1C1CC1NC(=O)C1CC3CCCC(C1)C3N)OC(C)C2.Cl
InChIInChI=1S/C24H34N2O3.ClH/c1-3-28-22-10-16-7-13(2)29-21(16)12-19(22)18-11-20(18)26-24(27)17-8-14-5-4-6-15(9-17)23(14)25;/h10,12-15,17-18,20,23H,3-9,11,25H2,1-2H3,(H,26,27);1H
InChIKeyYJKBPOYTPIGLSD-UHFFFAOYSA-N
XLogP3.96
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.01
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R)-2-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]propanamide;hydrochloride
CID 119321255
(2S,5R)-5-(aminomethyl)-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]oxolane-2-carboxamide
CID 120792694
1-[[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
CID 122001280
3-[[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]carbamoyl-methylamino]propanoic acid
CID 122001284
cis-(1R,2S)-2-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]cyclopropane-1-carboxylic acid
CID 51888079
(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-carboxylate
CID 7874317
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934557
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]cyclopropanecarboxamide
CID 8934556
2-amino-2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 24695376
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)piperidine
CID 63156343
5-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)imidazolidine-2,4-dione
CID 16783888
4-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5,5-dimethylpyrrolidin-2-one
CID 66107409

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120989363) is 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CCOc1cc2c(cc1C1CC1NC(=O)C1CC3CCCC(C1)C3N)OC(C)C2.Cl.
What is the InChIKey of 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is YJKBPOYTPIGLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3.ClH/c1-3-28-22-10-16-7-13(2)29-21(16)12-19(22)18-11-20(18)26-24(27)17-8-14-5-4-6-15(9-17)23(14)25;/h10,12-15,17-18,20,23H,3-9,11,25H2,1-2H3,(H,26,27);1H.
What are the key properties of 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 435.01 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)cyclopropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120989363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).