N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride

C18H26ClN3O3 — CID 119711092

IUPACN-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
SMILESCOc1ccc(NC(C)=O)c(NC(=O)CC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-11(22)19-16-6-5-15(24-2)10-17(16)21-18(23)9-12-7-13-3-4-14(8-12)20-13;/h5-6,10,12-14,20H,3-4,7-9H2,1-2H3,(H,19,22)(H,21,23);1H
InChIKeyNRZLGCMBCFIYSK-UHFFFAOYSA-N
MW367.88 g/mol
LogP2.93
Rot. Bonds5

About N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride

N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride (PubChem CID 119711092) has the molecular formula C18H26ClN3O3 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
PubChem CID119711092
Molecular FormulaC18H26ClN3O3
Molecular Weight367.88 g/mol
Exact Mass367.17
IUPAC NameN-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
SMILESCOc1ccc(NC(C)=O)c(NC(=O)CC2CC3CCC(C2)N3)c1.Cl
InChIInChI=1S/C18H25N3O3.ClH/c1-11(22)19-16-6-5-15(24-2)10-17(16)21-18(23)9-12-7-13-3-4-14(8-12)20-13;/h5-6,10,12-14,20H,3-4,7-9H2,1-2H3,(H,19,22)(H,21,23);1H
InChIKeyNRZLGCMBCFIYSK-UHFFFAOYSA-N
XLogP2.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276
N-(2-acetamido-5-methoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119711100
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 119680059
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
N-(3-acetamido-4-fluorophenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119702837
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-butoxy-2-methylphenyl)acetamide
CID 119739420
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)acetamide
CID 119753531
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-2-methylphenyl)acetamide
CID 79614826
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 79610580
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-difluoro-4-methoxyphenyl)acetamide
CID 119812874
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856692

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride (CID 119711092) is N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride is COc1ccc(NC(C)=O)c(NC(=O)CC2CC3CCC(C2)N3)c1.Cl.
What is the InChIKey of N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
The InChIKey is NRZLGCMBCFIYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3.ClH/c1-11(22)19-16-6-5-15(24-2)10-17(16)21-18(23)9-12-7-13-3-4-14(8-12)20-13;/h5-6,10,12-14,20H,3-4,7-9H2,1-2H3,(H,19,22)(H,21,23);1H.
What are the key properties of N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride?
N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride has a molecular weight of 367.88 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 119711092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).