9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide

C21H29N3O2 — CID 120989684

IUPAC9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(C(=O)C1CC2CCCC(C1)C2N)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H29N3O2/c1-23(18-10-11-24(21(18)26)17-8-3-2-4-9-17)20(25)16-12-14-6-5-7-15(13-16)19(14)22/h2-4,8-9,14-16,18-19H,5-7,10-13,22H2,1H3
InChIKeyMFRSLENZWRJUNA-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.40
Rot. Bonds3

About 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120989684) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120989684
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCN(C(=O)C1CC2CCCC(C1)C2N)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C21H29N3O2/c1-23(18-10-11-24(21(18)26)17-8-3-2-4-9-17)20(25)16-12-14-6-5-7-15(13-16)19(14)22/h2-4,8-9,14-16,18-19H,5-7,10-13,22H2,1H3
InChIKeyMFRSLENZWRJUNA-UHFFFAOYSA-N
XLogP2.40
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120990399
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 119319400
3-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide;hydrochloride
CID 119319399
7-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)heptanamide
CID 119776437
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
3-(2-fluorophenyl)-1-methyl-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
CID 71875837
5-amino-N,2-dimethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide;hydrochloride
CID 120631203
3-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119785221
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
2-methoxy-N-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 95303783
3-(2,6-dimethylphenyl)-1-methyl-1-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95630430
1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 119792199

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120989684) is 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide is CN(C(=O)C1CC2CCCC(C1)C2N)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is MFRSLENZWRJUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-23(18-10-11-24(21(18)26)17-8-3-2-4-9-17)20(25)16-12-14-6-5-7-15(13-16)19(14)22/h2-4,8-9,14-16,18-19H,5-7,10-13,22H2,1H3.
What are the key properties of 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120989684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).