9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide

C22H31N3O2 — CID 120985547

IUPAC9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCc1cccc(NC(=O)C3CCC3)c1)C2
InChIInChI=1S/C22H31N3O2/c23-20-16-7-3-8-17(20)12-18(11-16)21(26)24-13-14-4-1-9-19(10-14)25-22(27)15-5-2-6-15/h1,4,9-10,15-18,20H,2-3,5-8,11-13,23H2,(H,24,26)(H,25,27)
InChIKeyDODRJJGYMIRXDQ-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.19
Rot. Bonds5

About 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120985547) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120985547
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide
SMILESNC1C2CCCC1CC(C(=O)NCc1cccc(NC(=O)C3CCC3)c1)C2
InChIInChI=1S/C22H31N3O2/c23-20-16-7-3-8-17(20)12-18(11-16)21(26)24-13-14-4-1-9-19(10-14)25-22(27)15-5-2-6-15/h1,4,9-10,15-18,20H,2-3,5-8,11-13,23H2,(H,24,26)(H,25,27)
InChIKeyDODRJJGYMIRXDQ-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-N-[[3-(carbamoylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987099
9-amino-N-[3-(methoxymethyl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120985468
N-[3-[[[(1R,2S)-2-cyclopropylcyclopropanecarbonyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 97011516
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119282363
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
9-amino-N-[[3-(ethylcarbamoyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986134
N-[3-[[[(2S)-2-aminopropanoyl]amino]methyl]phenyl]cyclobutanecarboxamide
CID 119282339
N-[3-[[[(1R,3S)-3-cyclopropylcyclohexyl]carbamoylamino]methyl]phenyl]cyclohexanecarboxamide
CID 167928606
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984718

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide (CID 120985547) is 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide is NC1C2CCCC1CC(C(=O)NCc1cccc(NC(=O)C3CCC3)c1)C2.
What is the InChIKey of 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is DODRJJGYMIRXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c23-20-16-7-3-8-17(20)12-18(11-16)21(26)24-13-14-4-1-9-19(10-14)25-22(27)15-5-2-6-15/h1,4,9-10,15-18,20H,2-3,5-8,11-13,23H2,(H,24,26)(H,25,27).
What are the key properties of 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120985547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).