3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide

C18H25N3O3 — CID 166276577

IUPAC3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN2[C@@H]3CC[C@H]2CC(O)C3)c1
InChIInChI=1S/C18H25N3O3/c1-20(2)18(24)12-4-3-5-13(8-12)19-17(23)11-21-14-6-7-15(21)10-16(22)9-14/h3-5,8,14-16,22H,6-7,9-11H2,1-2H3,(H,19,23)/t14-,15+,16?
InChIKeyWUGOMOJJPAMPPS-XYPWUTKMSA-N
MW331.42 g/mol
LogP1.31
Rot. Bonds4

About 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide

3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 166276577) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID166276577
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)CN2[C@@H]3CC[C@H]2CC(O)C3)c1
InChIInChI=1S/C18H25N3O3/c1-20(2)18(24)12-4-3-5-13(8-12)19-17(23)11-21-14-6-7-15(21)10-16(22)9-14/h3-5,8,14-16,22H,6-7,9-11H2,1-2H3,(H,19,23)/t14-,15+,16?
InChIKeyWUGOMOJJPAMPPS-XYPWUTKMSA-N
XLogP1.31
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

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CID 48937237
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N,N-dimethyl-3-[[2-(propylamino)acetyl]amino]benzamide
CID 54819069
N-(4-ethoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 166600511
N-(3-aminophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propanamide
CID 63763927
N,N-dimethyl-3-[[2-(9-oxoacridin-10-yl)acetyl]amino]benzamide
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3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide (CID 166276577) is 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)CN2[C@@H]3CC[C@H]2CC(O)C3)c1.
What is the InChIKey of 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is WUGOMOJJPAMPPS-XYPWUTKMSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(2)18(24)12-4-3-5-13(8-12)19-17(23)11-21-14-6-7-15(21)10-16(22)9-14/h3-5,8,14-16,22H,6-7,9-11H2,1-2H3,(H,19,23)/t14-,15+,16?.
What are the key properties of 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide?
3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 166276577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).