3-[(3,3-dimethylcyclopentyl)amino]benzamide

C14H20N2O — CID 80693382

IUPAC3-[(3,3-dimethylcyclopentyl)amino]benzamide
SMILESCC1(C)CCC(Nc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C14H20N2O/c1-14(2)7-6-12(9-14)16-11-5-3-4-10(8-11)13(15)17/h3-5,8,12,16H,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyYRRFTTBFYUYZRV-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.78
Rot. Bonds3

About 3-[(3,3-dimethylcyclopentyl)amino]benzamide

3-[(3,3-dimethylcyclopentyl)amino]benzamide (PubChem CID 80693382) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopentyl)amino]benzamide.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopentyl)amino]benzamide
PubChem CID80693382
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[(3,3-dimethylcyclopentyl)amino]benzamide
SMILESCC1(C)CCC(Nc2cccc(C(N)=O)c2)C1
InChIInChI=1S/C14H20N2O/c1-14(2)7-6-12(9-14)16-11-5-3-4-10(8-11)13(15)17/h3-5,8,12,16H,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyYRRFTTBFYUYZRV-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4,4-trimethylcyclohexyl)amino]benzamide
CID 81321097
3-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
CID 28650668
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831
3-[(4-propylcyclohexyl)amino]benzamide
CID 28540902
3-[(4,4-dimethylthian-3-yl)amino]benzamide
CID 79952112
3-[(2,6-dimethylcyclohexyl)amino]benzamide
CID 43202843
2-chloro-4-[(3,3-dimethylcyclopentyl)amino]benzenecarbothioamide
CID 114546706
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
N-(3,3-dimethylcyclopentyl)-3-(1-methyltetrazol-5-yl)aniline
CID 80705914
N-(3,3-dimethylcyclopentyl)-3-(1H-pyrazol-5-yl)aniline
CID 80705471
ethyl 3-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43321933
3-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]-1,3-oxazolidin-2-one
CID 80705731

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]benzamide?
The IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]benzamide (CID 80693382) is 3-[(3,3-dimethylcyclopentyl)amino]benzamide.
What is the SMILES notation for 3-[(3,3-dimethylcyclopentyl)amino]benzamide?
The canonical SMILES for 3-[(3,3-dimethylcyclopentyl)amino]benzamide is CC1(C)CCC(Nc2cccc(C(N)=O)c2)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclopentyl)amino]benzamide?
The InChIKey is YRRFTTBFYUYZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2)7-6-12(9-14)16-11-5-3-4-10(8-11)13(15)17/h3-5,8,12,16H,6-7,9H2,1-2H3,(H2,15,17).
What are the key properties of 3-[(3,3-dimethylcyclopentyl)amino]benzamide?
3-[(3,3-dimethylcyclopentyl)amino]benzamide has a molecular weight of 232.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclopentyl)amino]benzamide is sourced from PubChem (CID 80693382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).