9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide

C20H28F2N2O3 — CID 120988428

IUPAC9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC3CCCC(C2)C3N)cc1OC(F)F
InChIInChI=1S/C20H28F2N2O3/c1-26-16-6-5-12(9-17(16)27-20(21)22)7-8-24-19(25)15-10-13-3-2-4-14(11-15)18(13)23/h5-6,9,13-15,18,20H,2-4,7-8,10-11,23H2,1H3,(H,24,25)
InChIKeyMVODLPIPMCCKOI-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.11
Rot. Bonds7

About 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120988428) has the molecular formula C20H28F2N2O3 and a molecular weight of 382.45 g/mol. Its IUPAC name is 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120988428
Molecular FormulaC20H28F2N2O3
Molecular Weight382.45 g/mol
Exact Mass382.21
IUPAC Name9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CC3CCCC(C2)C3N)cc1OC(F)F
InChIInChI=1S/C20H28F2N2O3/c1-26-16-6-5-12(9-17(16)27-20(21)22)7-8-24-19(25)15-10-13-3-2-4-14(11-15)18(13)23/h5-6,9,13-15,18,20H,2-4,7-8,10-11,23H2,1H3,(H,24,25)
InChIKeyMVODLPIPMCCKOI-UHFFFAOYSA-N
XLogP3.11
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

9-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984011
methyl 4-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]ethyl]benzoate;hydrochloride
CID 120984703
N-[4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 46438041
2-(cyclopropylmethylamino)-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]acetamide;hydrochloride
CID 119767848
9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985722
(2S,5R)-5-(aminomethyl)-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791545
9-amino-N-[2-(3,5-dichlorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987724
9-amino-N-[2-(3,5-dimethylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990611
9-amino-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989295
1-amino-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]cyclopropane-1-carboxamide
CID 65464069
9-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991503
9-amino-N-[2-(3-carbamoylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988653

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120988428) is 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide is COc1ccc(CCNC(=O)C2CC3CCCC(C2)C3N)cc1OC(F)F.
What is the InChIKey of 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is MVODLPIPMCCKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N2O3/c1-26-16-6-5-12(9-17(16)27-20(21)22)7-8-24-19(25)15-10-13-3-2-4-14(11-15)18(13)23/h5-6,9,13-15,18,20H,2-4,7-8,10-11,23H2,1H3,(H,24,25).
What are the key properties of 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120988428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).