9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C24H30N2O2 — CID 120987690

IUPAC9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCOc1ccccc1-c1ccccc1)C2
InChIInChI=1S/C24H30N2O2/c25-23-18-9-6-10-19(23)16-20(15-18)24(27)26-13-14-28-22-12-5-4-11-21(22)17-7-2-1-3-8-17/h1-5,7-8,11-12,18-20,23H,6,9-10,13-16,25H2,(H,26,27)
InChIKeyQVRSHQTVEHXBFW-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.00
Rot. Bonds6

About 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120987690) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120987690
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCCOc1ccccc1-c1ccccc1)C2
InChIInChI=1S/C24H30N2O2/c25-23-18-9-6-10-19(23)16-20(15-18)24(27)26-13-14-28-22-12-5-4-11-21(22)17-7-2-1-3-8-17/h1-5,7-8,11-12,18-20,23H,6,9-10,13-16,25H2,(H,26,27)
InChIKeyQVRSHQTVEHXBFW-UHFFFAOYSA-N
XLogP4.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.00
H-Bond Donors ≤ 52
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-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987689
9-amino-N-[2-(2,6-dimethylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986147
9-amino-N-[2-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988860
(2S,4S)-2-methyl-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626268
9-amino-N-(2-benzamidoethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984907
9-amino-N-[2-(3-fluorophenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985844
9-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992137
9-amino-N-[2-[(6-phenylpyridazin-3-yl)amino]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992141
9-amino-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986252
2-(cyclopropylmethylamino)-N-[2-(2-phenylphenoxy)ethyl]acetamide;hydrochloride
CID 119754368
9-amino-N-(2-cyclopentyloxyethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986701
2-methyl-1-[2-(2-phenylphenoxy)ethyl]guanidine
CID 110917179

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120987690) is 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NCCOc1ccccc1-c1ccccc1)C2.
What is the InChIKey of 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is QVRSHQTVEHXBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c25-23-18-9-6-10-19(23)16-20(15-18)24(27)26-13-14-28-22-12-5-4-11-21(22)17-7-2-1-3-8-17/h1-5,7-8,11-12,18-20,23H,6,9-10,13-16,25H2,(H,26,27).
What are the key properties of 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(2-phenylphenoxy)ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120987690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).