N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide

C18H26N2O — CID 114817145

IUPACN-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
SMILESCNC(=O)c1cccc(NC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O/c1-19-17(21)14-5-4-6-16(13-14)20-15-7-11-18(12-8-15)9-2-3-10-18/h4-6,13,15,20H,2-3,7-12H2,1H3,(H,19,21)
InChIKeyBRSHRAUWJRQVGD-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.96
Rot. Bonds3

About N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide

N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide (PubChem CID 114817145) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide.

Molecular Properties

Compound NameN-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
PubChem CID114817145
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide
SMILESCNC(=O)c1cccc(NC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H26N2O/c1-19-17(21)14-5-4-6-16(13-14)20-15-7-11-18(12-8-15)9-2-3-10-18/h4-6,13,15,20H,2-3,7-12H2,1H3,(H,19,21)
InChIKeyBRSHRAUWJRQVGD-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[(4-propan-2-ylcyclohexyl)amino]benzamide
CID 62702969
N-methyl-3-(thian-3-ylamino)benzamide
CID 55129966
N-(3-methylsulfonylphenyl)spiro[4.5]decan-8-amine
CID 114817465
N-(3-iodophenyl)spiro[4.5]decan-8-amine
CID 114817215
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
3-(cycloheptylamino)-N-propan-2-ylbenzamide
CID 43693920
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
2-chloro-5-(spiro[4.5]decan-8-ylamino)benzoic acid
CID 114817395
3-[(3,3-dimethylcyclopentyl)amino]benzamide
CID 80693382
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
3-(cyclohexylamino)-N,N-dimethylbenzamide
CID 43725453

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide?
The IUPAC name of N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide (CID 114817145) is N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide.
What is the SMILES notation for N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide?
The canonical SMILES for N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide is CNC(=O)c1cccc(NC2CCC3(CCCC3)CC2)c1.
What is the InChIKey of N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide?
The InChIKey is BRSHRAUWJRQVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-19-17(21)14-5-4-6-16(13-14)20-15-7-11-18(12-8-15)9-2-3-10-18/h4-6,13,15,20H,2-3,7-12H2,1H3,(H,19,21).
What are the key properties of N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide?
N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide has a molecular weight of 286.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(spiro[4.5]decan-8-ylamino)benzamide is sourced from PubChem (CID 114817145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).