9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide

C21H29N3O2 — CID 120985111

IUPAC9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
SMILESNC(=O)c1ccc(CN(C(=O)C2CC3CCCC(C2)C3N)C2CC2)cc1
InChIInChI=1S/C21H29N3O2/c22-19-15-2-1-3-16(19)11-17(10-15)21(26)24(18-8-9-18)12-13-4-6-14(7-5-13)20(23)25/h4-7,15-19H,1-3,8-12,22H2,(H2,23,25)
InChIKeyWCQLLMBCXDZNCI-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.43
Rot. Bonds5

About 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985111) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985111
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide
SMILESNC(=O)c1ccc(CN(C(=O)C2CC3CCCC(C2)C3N)C2CC2)cc1
InChIInChI=1S/C21H29N3O2/c22-19-15-2-1-3-16(19)11-17(10-15)21(26)24(18-8-9-18)12-13-4-6-14(7-5-13)20(23)25/h4-7,15-19H,1-3,8-12,22H2,(H2,23,25)
InChIKeyWCQLLMBCXDZNCI-UHFFFAOYSA-N
XLogP2.43
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide with MolForge

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Related Compounds

9-amino-N-cyclopropyl-N-[(4-nitrophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120993785
9-amino-N-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992814
9-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985463
9-amino-N-methyl-N-[(4-propan-2-ylphenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120983706
9-amino-N-cyclopropyl-N-prop-2-enylbicyclo[3.3.1]nonane-3-carboxamide
CID 120993976
9-amino-N-cyclopropyl-N-propylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989098
N-[(4-aminophenyl)methyl]-N-cyclopropylcyclopropanecarboxamide
CID 43460560
9-amino-N-benzyl-N-ethylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983152
4-[[cyclohexyl(methyl)amino]methyl]benzamide;hydrochloride
CID 166523994
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 46410305
4-[[[(2R)-2-aminopropanoyl]-cyclopropylamino]methyl]benzamide;hydrochloride
CID 119291590
9-amino-N-[(3,4-dichlorophenyl)methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983505

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide (CID 120985111) is 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide is NC(=O)c1ccc(CN(C(=O)C2CC3CCCC(C2)C3N)C2CC2)cc1.
What is the InChIKey of 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is WCQLLMBCXDZNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c22-19-15-2-1-3-16(19)11-17(10-15)21(26)24(18-8-9-18)12-13-4-6-14(7-5-13)20(23)25/h4-7,15-19H,1-3,8-12,22H2,(H2,23,25).
What are the key properties of 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[(4-carbamoylphenyl)methyl]-N-cyclopropylbicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).