9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C20H27ClN2O2 — CID 120983901

IUPAC9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC2CCCC(C1)C2N)c1cc2ccccc2o1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-12(18-11-13-5-2-3-8-17(13)24-18)22-20(23)16-9-14-6-4-7-15(10-16)19(14)21;/h2-3,5,8,11-12,14-16,19H,4,6-7,9-10,21H2,1H3,(H,22,23);1H
InChIKeyULRQSDPRQRVEBA-UHFFFAOYSA-N
MW362.90 g/mol
LogP4.19
Rot. Bonds3

About 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120983901) has the molecular formula C20H27ClN2O2 and a molecular weight of 362.90 g/mol. Its IUPAC name is 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120983901
Molecular FormulaC20H27ClN2O2
Molecular Weight362.90 g/mol
Exact Mass362.18
IUPAC Name9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC2CCCC(C1)C2N)c1cc2ccccc2o1.Cl
InChIInChI=1S/C20H26N2O2.ClH/c1-12(18-11-13-5-2-3-8-17(13)24-18)22-20(23)16-9-14-6-4-7-15(10-16)19(14)21;/h2-3,5,8,11-12,14-16,19H,4,6-7,9-10,21H2,1H3,(H,22,23);1H
InChIKeyULRQSDPRQRVEBA-UHFFFAOYSA-N
XLogP4.19
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.90
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]cyclopentane-1-carboxamide
CID 64822765
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985064
N-[1-(1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110013757
(2S)-N-[1-(1-benzofuran-2-yl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119272386
N-[1-(1-benzofuran-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 51321017
N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 43034290
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] cyclopentanecarboxylate
CID 9202178
1-(benzenesulfonyl)-N-[1-(1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 55389739
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120983901) is 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is CC(NC(=O)C1CC2CCCC(C1)C2N)c1cc2ccccc2o1.Cl.
What is the InChIKey of 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is ULRQSDPRQRVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.ClH/c1-12(18-11-13-5-2-3-8-17(13)24-18)22-20(23)16-9-14-6-4-7-15(10-16)19(14)21;/h2-3,5,8,11-12,14-16,19H,4,6-7,9-10,21H2,1H3,(H,22,23);1H.
What are the key properties of 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120983901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).