9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide

C20H30N2O — CID 120991629

IUPAC9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(NC(=O)C1CC2CCCC(C1)C2N)C(C)c1ccccc1
InChIInChI=1S/C20H30N2O/c1-13(15-7-4-3-5-8-15)14(2)22-20(23)18-11-16-9-6-10-17(12-18)19(16)21/h3-5,7-8,13-14,16-19H,6,9-12,21H2,1-2H3,(H,22,23)
InChIKeyZXNQTJGAGCKORS-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.45
Rot. Bonds4

About 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120991629) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120991629
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(NC(=O)C1CC2CCCC(C1)C2N)C(C)c1ccccc1
InChIInChI=1S/C20H30N2O/c1-13(15-7-4-3-5-8-15)14(2)22-20(23)18-11-16-9-6-10-17(12-18)19(16)21/h3-5,7-8,13-14,16-19H,6,9-12,21H2,1-2H3,(H,22,23)
InChIKeyZXNQTJGAGCKORS-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-(1-anilino-1-oxopropan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989646
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
9-amino-N-(3,3,3-trifluoro-1-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986857
9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120993956
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
9-amino-N-(1-cyclopropyl-2-phenylethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990350
9-amino-N-[1-(2-ethoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985375
9-amino-N-[1-(1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983901
9-amino-N-(2-methyl-2-phenylpropyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985617
methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120985037
9-amino-N-[1-(3-methyl-2,3-dihydro-1-benzofuran-2-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120992037
9-amino-N-(1-phenylcyclobutyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988072

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120991629) is 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide is CC(NC(=O)C1CC2CCCC(C1)C2N)C(C)c1ccccc1.
What is the InChIKey of 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is ZXNQTJGAGCKORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O/c1-13(15-7-4-3-5-8-15)14(2)22-20(23)18-11-16-9-6-10-17(12-18)19(16)21/h3-5,7-8,13-14,16-19H,6,9-12,21H2,1-2H3,(H,22,23).
What are the key properties of 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120991629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).