2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide

C23H27N3O3 — CID 119680059

IUPAC2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C23H27N3O3/c1-29-19-6-4-5-16(14-19)25-23(28)20-7-2-3-8-21(20)26-22(27)13-15-11-17-9-10-18(12-15)24-17/h2-8,14-15,17-18,24H,9-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyGUWULISCBGGIIL-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.81
Rot. Bonds6

About 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide (PubChem CID 119680059) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
PubChem CID119680059
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C23H27N3O3/c1-29-19-6-4-5-16(14-19)25-23(28)20-7-2-3-8-21(20)26-22(27)13-15-11-17-9-10-18(12-15)24-17/h2-8,14-15,17-18,24H,9-13H2,1H3,(H,25,28)(H,26,27)
InChIKeyGUWULISCBGGIIL-UHFFFAOYSA-N
XLogP3.81
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 119680067
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119704664
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylbenzamide
CID 119714094
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethoxyphenyl)acetamide;hydrochloride
CID 119674276
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
N-(3-methoxyphenyl)-2-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119680052
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-butoxyphenyl)acetamide
CID 119745749
(2S,4S)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120617172
N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119711092

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide (CID 119680059) is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccccc2NC(=O)CC2CC3CCC(C2)N3)c1.
What is the InChIKey of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide?
The InChIKey is GUWULISCBGGIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-29-19-6-4-5-16(14-19)25-23(28)20-7-2-3-8-21(20)26-22(27)13-15-11-17-9-10-18(12-15)24-17/h2-8,14-15,17-18,24H,9-13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide?
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide has a molecular weight of 393.49 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 119680059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).