9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H28ClN3O2 — CID 120984907

IUPAC9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCCNC(=O)c1ccccc1)C2
InChIInChI=1S/C19H27N3O2.ClH/c20-17-14-7-4-8-15(17)12-16(11-14)19(24)22-10-9-21-18(23)13-5-2-1-3-6-13;/h1-3,5-6,14-17H,4,7-12,20H2,(H,21,23)(H,22,24);1H
InChIKeyUXFBJSVRUZNYPU-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.11
Rot. Bonds5

About 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120984907) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120984907
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCl.NC1C2CCCC1CC(C(=O)NCCNC(=O)c1ccccc1)C2
InChIInChI=1S/C19H27N3O2.ClH/c20-17-14-7-4-8-15(17)12-16(11-14)19(24)22-10-9-21-18(23)13-5-2-1-3-6-13;/h1-3,5-6,14-17H,4,7-12,20H2,(H,21,23)(H,22,24);1H
InChIKeyUXFBJSVRUZNYPU-UHFFFAOYSA-N
XLogP2.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-amino-N-[2-(2,6-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986567
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987689
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
9-amino-N-[(2-ethylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990581
9-amino-N-[2-(2-methylpropanoylamino)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984662
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987690
9-amino-N-[2-[(6-phenylpyridazin-3-yl)amino]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992141
9-amino-N-[2-(2,3-difluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989710
N-[[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-3-yl]methyl]benzamide;hydrochloride
CID 120991771
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992136

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120984907) is 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is Cl.NC1C2CCCC1CC(C(=O)NCCNC(=O)c1ccccc1)C2.
What is the InChIKey of 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is UXFBJSVRUZNYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c20-17-14-7-4-8-15(17)12-16(11-14)19(24)22-10-9-21-18(23)13-5-2-1-3-6-13;/h1-3,5-6,14-17H,4,7-12,20H2,(H,21,23)(H,22,24);1H.
What are the key properties of 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120984907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).