4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide

C16H23N3O — CID 152949444

IUPAC4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCC3(CCNC3)C2)cc1
InChIInChI=1S/C16H23N3O/c1-17-15(20)12-2-4-13(5-3-12)19-14-6-7-16(10-14)8-9-18-11-16/h2-5,14,18-19H,6-11H2,1H3,(H,17,20)
InChIKeyUOKCXQAHGWWFNQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.99
Rot. Bonds3

About 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide

4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide (PubChem CID 152949444) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide
PubChem CID152949444
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC2CCC3(CCNC3)C2)cc1
InChIInChI=1S/C16H23N3O/c1-17-15(20)12-2-4-13(5-3-12)19-14-6-7-16(10-14)8-9-18-11-16/h2-5,14,18-19H,6-11H2,1H3,(H,17,20)
InChIKeyUOKCXQAHGWWFNQ-UHFFFAOYSA-N
XLogP1.99
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-azaspiro[3.4]octan-2-ylamino)-N-methylbenzamide
CID 152830437
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
2-(6-azaspiro[3.4]octan-2-ylamino)-N-methylpyrimidine-5-carboxamide
CID 149127001
4-[(3-aminocyclobutyl)amino]-N-methylbenzamide
CID 80559709
N-methyl-4-(thian-4-ylamino)benzamide
CID 43683708
4-(6-azaspiro[3.4]octan-2-ylamino)-2,3-difluoro-N-methylbenzamide
CID 164823975
N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
CID 114817145
4-[(4-tert-butylcyclohexyl)amino]-N-methylbenzamide
CID 43683594
N-phenyl-6-azaspiro[3.4]octan-2-amine;2,2,2-trifluoroacetate
CID 171922421
4-[[2-[2-chloro-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]-N-methylbenzamide
CID 146802846
N-methyl-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43683597
3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479

Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide?
The IUPAC name of 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide (CID 152949444) is 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide.
What is the SMILES notation for 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide?
The canonical SMILES for 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide is CNC(=O)c1ccc(NC2CCC3(CCNC3)C2)cc1.
What is the InChIKey of 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide?
The InChIKey is UOKCXQAHGWWFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-17-15(20)12-2-4-13(5-3-12)19-14-6-7-16(10-14)8-9-18-11-16/h2-5,14,18-19H,6-11H2,1H3,(H,17,20).
What are the key properties of 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide?
4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide has a molecular weight of 273.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide is sourced from PubChem (CID 152949444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).