9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

C21H32N2O — CID 120983706

IUPAC9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)C2CC3CCCC(C2)C3N)cc1
InChIInChI=1S/C21H32N2O/c1-14(2)16-9-7-15(8-10-16)13-23(3)21(24)19-11-17-5-4-6-18(12-19)20(17)22/h7-10,14,17-20H,4-6,11-13,22H2,1-3H3
InChIKeyPWDPIHHVZWAEPZ-UHFFFAOYSA-N
MW328.50 g/mol
LogP3.92
Rot. Bonds4

About 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120983706) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120983706
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(C)c1ccc(CN(C)C(=O)C2CC3CCCC(C2)C3N)cc1
InChIInChI=1S/C21H32N2O/c1-14(2)16-9-7-15(8-10-16)13-23(3)21(24)19-11-17-5-4-6-18(12-19)20(17)22/h7-10,14,17-20H,4-6,11-13,22H2,1-3H3
InChIKeyPWDPIHHVZWAEPZ-UHFFFAOYSA-N
XLogP3.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681964
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505
2-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 114997651
9-amino-N-[(3-bromophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide
CID 120985389
9-amino-N-[(3-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983691
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
9-amino-N-methyl-N-(naphthalen-1-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985296
9-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983469
9-amino-N-methyl-N-[(3-methylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983816
9-amino-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992602
9-amino-N-methyl-N-[(2-nitrophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985593
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120983706) is 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is CC(C)c1ccc(CN(C)C(=O)C2CC3CCCC(C2)C3N)cc1.
What is the InChIKey of 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is PWDPIHHVZWAEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O/c1-14(2)16-9-7-15(8-10-16)13-23(3)21(24)19-11-17-5-4-6-18(12-19)20(17)22/h7-10,14,17-20H,4-6,11-13,22H2,1-3H3.
What are the key properties of 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 328.50 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120983706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).