N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

C19H28ClN3O3 — CID 120984318

IUPACN-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-11(23)21-15-6-7-17(25-2)16(10-15)22-19(24)14-8-12-4-3-5-13(9-14)18(12)20;/h6-7,10,12-14,18H,3-5,8-9,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyQZCKERTWSDUKSA-UHFFFAOYSA-N
MW381.90 g/mol
LogP3.17
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride

N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (PubChem CID 120984318) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
PubChem CID120984318
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CC2CCCC(C1)C2N.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-11(23)21-15-6-7-17(25-2)16(10-15)22-19(24)14-8-12-4-3-5-13(9-14)18(12)20;/h6-7,10,12-14,18H,3-5,8-9,20H2,1-2H3,(H,21,23)(H,22,24);1H
InChIKeyQZCKERTWSDUKSA-UHFFFAOYSA-N
XLogP3.17
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride with MolForge

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Related Compounds

9-amino-N-(3-bromo-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120989691
9-amino-N-(3-fluoro-4-methoxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120986338
N-(5-acetamido-2-methoxyphenyl)-2-aminocyclopentane-1-carboxamide
CID 64824915
N-(5-acetamido-2-methoxyphenyl)-1-acetylpiperidine-4-carboxamide
CID 43004509
9-amino-N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989651
(2S,4S)-N-(5-acetamido-2-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 120617184
N-[5-[(3-aminocyclopentanecarbonyl)amino]-2-methoxyphenyl]cyclohexanecarboxamide;hydrochloride
CID 119791343
9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988721
(3S)-N-(5-acetamido-2-methoxyphenyl)piperidine-3-carboxamide
CID 81119809
N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513267
9-amino-N-[3-(2-methoxypropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987594
(3R)-N-(5-acetamido-2-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 25469701

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride (CID 120984318) is N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is COc1ccc(NC(C)=O)cc1NC(=O)C1CC2CCCC(C1)C2N.Cl.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
The InChIKey is QZCKERTWSDUKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-11(23)21-15-6-7-17(25-2)16(10-15)22-19(24)14-8-12-4-3-5-13(9-14)18(12)20;/h6-7,10,12-14,18H,3-5,8-9,20H2,1-2H3,(H,21,23)(H,22,24);1H.
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride?
N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride is sourced from PubChem (CID 120984318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).