3-(cycloheptylamino)-N,4-dimethylbenzamide

C16H24N2O — CID 43726864

IUPAC3-(cycloheptylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC2CCCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-12-9-10-13(16(19)17-2)11-15(12)18-14-7-5-3-4-6-8-14/h9-11,14,18H,3-8H2,1-2H3,(H,17,19)
InChIKeyHKTUZLLXUHNBPU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.49
Rot. Bonds3

About 3-(cycloheptylamino)-N,4-dimethylbenzamide

3-(cycloheptylamino)-N,4-dimethylbenzamide (PubChem CID 43726864) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(cycloheptylamino)-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3-(cycloheptylamino)-N,4-dimethylbenzamide
PubChem CID43726864
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(cycloheptylamino)-N,4-dimethylbenzamide
SMILESCNC(=O)c1ccc(C)c(NC2CCCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-12-9-10-13(16(19)17-2)11-15(12)18-14-7-5-3-4-6-8-14/h9-11,14,18H,3-8H2,1-2H3,(H,17,19)
InChIKeyHKTUZLLXUHNBPU-UHFFFAOYSA-N
XLogP3.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4-aminocyclohexyl)amino]-N,4-dimethylbenzamide
CID 79730916
3-[(1-ethylpiperidin-4-yl)amino]-N,4-dimethylbenzamide
CID 43726870
2-(cyclopentylamino)-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 11417033
4-(cycloheptylamino)-N-methyl-3-nitrobenzamide
CID 78969732
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
CID 174641609
N,3-dimethyl-4-(oxepan-4-ylamino)benzamide
CID 65081443
N-cyclooctyl-3-(methanesulfonamido)-4-methylbenzamide
CID 41467295
3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
CID 64762636
N-ethyl-4-methyl-3-[(4-methylcycloheptyl)amino]benzamide
CID 65080069
5-amino-2-(cyclooctylamino)-N-methylbenzamide
CID 100655350
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
3-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-N,4-dimethylbenzamide
CID 146143095

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-N,4-dimethylbenzamide?
The IUPAC name of 3-(cycloheptylamino)-N,4-dimethylbenzamide (CID 43726864) is 3-(cycloheptylamino)-N,4-dimethylbenzamide.
What is the SMILES notation for 3-(cycloheptylamino)-N,4-dimethylbenzamide?
The canonical SMILES for 3-(cycloheptylamino)-N,4-dimethylbenzamide is CNC(=O)c1ccc(C)c(NC2CCCCCC2)c1.
What is the InChIKey of 3-(cycloheptylamino)-N,4-dimethylbenzamide?
The InChIKey is HKTUZLLXUHNBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-9-10-13(16(19)17-2)11-15(12)18-14-7-5-3-4-6-8-14/h9-11,14,18H,3-8H2,1-2H3,(H,17,19).
What are the key properties of 3-(cycloheptylamino)-N,4-dimethylbenzamide?
3-(cycloheptylamino)-N,4-dimethylbenzamide has a molecular weight of 260.38 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-N,4-dimethylbenzamide is sourced from PubChem (CID 43726864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).