9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

C21H32N2O3 — CID 120993956

IUPAC9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(C(OC)C(C)NC(=O)C2CC3CCCC(C2)C3N)cc1
InChIInChI=1S/C21H32N2O3/c1-13(20(26-3)14-7-9-18(25-2)10-8-14)23-21(24)17-11-15-5-4-6-16(12-17)19(15)22/h7-10,13,15-17,19-20H,4-6,11-12,22H2,1-3H3,(H,23,24)
InChIKeyVPJVFLRCBJBERB-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.04
Rot. Bonds6

About 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120993956) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120993956
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(C(OC)C(C)NC(=O)C2CC3CCCC(C2)C3N)cc1
InChIInChI=1S/C21H32N2O3/c1-13(20(26-3)14-7-9-18(25-2)10-8-14)23-21(24)17-11-15-5-4-6-16(12-17)19(15)22/h7-10,13,15-17,19-20H,4-6,11-12,22H2,1-3H3,(H,23,24)
InChIKeyVPJVFLRCBJBERB-UHFFFAOYSA-N
XLogP3.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

9-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985157
9-amino-N-(3-phenylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991629
9-amino-N-propan-2-ylbicyclo[3.3.1]nonane-3-carboxamide
CID 120983266
9-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984029
methyl (2S)-2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]propanoate
CID 120985037
9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988721
9-amino-N-[1-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989321
9-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990957
9-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986441
9-amino-N-[1-(1H-pyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993566
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119697846
9-amino-N-[1-(4-chlorophenyl)propyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984546

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120993956) is 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is COc1ccc(C(OC)C(C)NC(=O)C2CC3CCCC(C2)C3N)cc1.
What is the InChIKey of 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is VPJVFLRCBJBERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-13(20(26-3)14-7-9-18(25-2)10-8-14)23-21(24)17-11-15-5-4-6-16(12-17)19(15)22/h7-10,13,15-17,19-20H,4-6,11-12,22H2,1-3H3,(H,23,24).
What are the key properties of 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[1-methoxy-1-(4-methoxyphenyl)propan-2-yl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120993956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).