4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide

C17H26N2O — CID 80706223

IUPAC4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC2CCC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-5-18-16(20)13-6-7-15(12(2)10-13)19-14-8-9-17(3,4)11-14/h6-7,10,14,19H,5,8-9,11H2,1-4H3,(H,18,20)
InChIKeyLGINZBPVFUWYAM-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.74
Rot. Bonds4

About 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide

4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide (PubChem CID 80706223) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide
PubChem CID80706223
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide
SMILESCCNC(=O)c1ccc(NC2CCC(C)(C)C2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-5-18-16(20)13-6-7-15(12(2)10-13)19-14-8-9-17(3,4)11-14/h6-7,10,14,19H,5,8-9,11H2,1-4H3,(H,18,20)
InChIKeyLGINZBPVFUWYAM-UHFFFAOYSA-N
XLogP3.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-3-methyl-4-(methylamino)benzamide
CID 114540797
4-[(2,6-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 60934848
4-[(2,5-dimethylcyclohexyl)amino]-N-ethyl-3-methylbenzamide
CID 64761485
4-(1-cyclopropylethylamino)-N-ethyl-3-methylbenzamide
CID 54864939
N-ethyl-4-methyl-3-[(4-methylcyclohexyl)amino]benzamide
CID 43734886
3-amino-4-[(3,3-dimethylcyclopentyl)amino]benzoic acid
CID 114550836
4-(ethylamino)-3-methyl-N-(1-methylcyclopropyl)benzamide
CID 113485970
4-amino-3-(cyclopentylamino)-N-ethylbenzamide
CID 63360547
3-amino-N-(3,3-dimethylcyclopentyl)-4-methylbenzamide
CID 114542653
3-[(1,1-dioxothian-4-yl)amino]-N-ethyl-4-methylbenzamide
CID 43734956
N-ethyl-3-methyl-4-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]benzamide
CID 60934341
N-[2-[(3,3-dimethylcyclopentyl)amino]ethyl]-4-methylbenzamide
CID 80706039

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide?
The IUPAC name of 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide (CID 80706223) is 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide.
What is the SMILES notation for 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide?
The canonical SMILES for 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide is CCNC(=O)c1ccc(NC2CCC(C)(C)C2)c(C)c1.
What is the InChIKey of 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide?
The InChIKey is LGINZBPVFUWYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-5-18-16(20)13-6-7-15(12(2)10-13)19-14-8-9-17(3,4)11-14/h6-7,10,14,19H,5,8-9,11H2,1-4H3,(H,18,20).
What are the key properties of 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide?
4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylcyclopentyl)amino]-N-ethyl-3-methylbenzamide is sourced from PubChem (CID 80706223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).