N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide

C20H29N5O — CID 167903909

IUPACN-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide
SMILESCCC1CCCC1NC(=O)c1cccc(-n2cc(CN(C)CC)nn2)c1
InChIInChI=1S/C20H29N5O/c1-4-15-8-7-11-19(15)21-20(26)16-9-6-10-18(12-16)25-14-17(22-23-25)13-24(3)5-2/h6,9-10,12,14-15,19H,4-5,7-8,11,13H2,1-3H3,(H,21,26)
InChIKeyKMIDKNWACGUYPN-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.03
Rot. Bonds7

About N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide

N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide (PubChem CID 167903909) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide
PubChem CID167903909
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide
SMILESCCC1CCCC1NC(=O)c1cccc(-n2cc(CN(C)CC)nn2)c1
InChIInChI=1S/C20H29N5O/c1-4-15-8-7-11-19(15)21-20(26)16-9-6-10-18(12-16)25-14-17(22-23-25)13-24(3)5-2/h6,9-10,12,14-15,19H,4-5,7-8,11,13H2,1-3H3,(H,21,26)
InChIKeyKMIDKNWACGUYPN-UHFFFAOYSA-N
XLogP3.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 119604762
N-[(1R,2S)-2-methylcyclohexyl]-3-(tetrazol-1-yl)benzamide
CID 28935459
N-[2-(aminomethyl)cyclohexyl]-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119612152
2-(aminomethyl)-N-(2-ethylcyclohexyl)pyridine-4-carboxamide
CID 114325811
3-bromo-N-[2-(hydroxymethyl)cyclohexyl]benzamide
CID 103798593
N-[4-[3-[4-(diethylaminomethyl)triazol-1-yl]anilino]phenyl]-3-methoxybenzamide
CID 66558827
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
[3-[4-[2-[ethyl(methyl)amino]ethyl]triazol-1-yl]phenyl]-(4-hydroxy-2-methylpyrrolidin-1-yl)methanone
CID 167929665
N-[2-[(dimethylamino)methyl]cyclohexyl]-3-methoxybenzamide
CID 110279269
2-amino-N-(2-ethylcyclohexyl)-1,3-benzothiazole-6-carboxamide
CID 65349674
3-[4-[[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanylmethyl]triazol-1-yl]-N-hydroxybenzamide
CID 170703935
N-[(3R)-1-ethylpiperidin-3-yl]-3-(tetrazol-1-yl)benzamide
CID 95296179

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide?
The IUPAC name of N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide (CID 167903909) is N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide.
What is the SMILES notation for N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide?
The canonical SMILES for N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide is CCC1CCCC1NC(=O)c1cccc(-n2cc(CN(C)CC)nn2)c1.
What is the InChIKey of N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide?
The InChIKey is KMIDKNWACGUYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-15-8-7-11-19(15)21-20(26)16-9-6-10-18(12-16)25-14-17(22-23-25)13-24(3)5-2/h6,9-10,12,14-15,19H,4-5,7-8,11,13H2,1-3H3,(H,21,26).
What are the key properties of N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide?
N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide has a molecular weight of 355.49 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopentyl)-3-[4-[[ethyl(methyl)amino]methyl]triazol-1-yl]benzamide is sourced from PubChem (CID 167903909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).