9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

C21H32N2O3 — CID 120985722

IUPAC9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CC3CCCC(C2)C3N)cc1OC
InChIInChI=1S/C21H32N2O3/c1-3-9-26-18-8-7-14(10-19(18)25-2)13-23-21(24)17-11-15-5-4-6-16(12-17)20(15)22/h7-8,10,15-17,20H,3-6,9,11-13,22H2,1-2H3,(H,23,24)
InChIKeyPDKPVMFMUPWMIU-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.25
Rot. Bonds7

About 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985722) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985722
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)C2CC3CCCC(C2)C3N)cc1OC
InChIInChI=1S/C21H32N2O3/c1-3-9-26-18-8-7-14(10-19(18)25-2)13-23-21(24)17-11-15-5-4-6-16(12-17)20(15)22/h7-8,10,15-17,20H,3-6,9,11-13,22H2,1-2H3,(H,23,24)
InChIKeyPDKPVMFMUPWMIU-UHFFFAOYSA-N
XLogP3.25
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
methyl 5-[[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]-2-methoxybenzoate;hydrochloride
CID 120985040
9-amino-N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120988428
N-[(4-ethoxy-3-methoxyphenyl)methyl]-8-oxobicyclo[3.2.1]octane-3-carboxamide
CID 102560240
N-[(4-butoxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119284599
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
9-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984011
9-amino-N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986011
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680
9-amino-N-(4-fluoro-2-propoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120992611
3-amino-N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119774714
1-(4-methoxyphenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46410541

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120985722) is 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is CCCOc1ccc(CNC(=O)C2CC3CCCC(C2)C3N)cc1OC.
What is the InChIKey of 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is PDKPVMFMUPWMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-3-9-26-18-8-7-14(10-19(18)25-2)13-23-21(24)17-11-15-5-4-6-16(12-17)20(15)22/h7-8,10,15-17,20H,3-6,9,11-13,22H2,1-2H3,(H,23,24).
What are the key properties of 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).