3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide

C17H26N2O — CID 79860799

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC1CCCC1(C)C
InChIInChI=1S/C17H26N2O/c1-12-8-9-13(16(20)19(4)5)11-14(12)18-15-7-6-10-17(15,2)3/h8-9,11,15,18H,6-7,10H2,1-5H3
InChIKeyYCKQBSISDJSSCI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.69
Rot. Bonds3

About 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide

3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide (PubChem CID 79860799) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide
PubChem CID79860799
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NC1CCCC1(C)C
InChIInChI=1S/C17H26N2O/c1-12-8-9-13(16(20)19(4)5)11-14(12)18-15-7-6-10-17(15,2)3/h8-9,11,15,18H,6-7,10H2,1-5H3
InChIKeyYCKQBSISDJSSCI-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide (CID 79860799) is 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C)cc1NC1CCCC1(C)C.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide?
The InChIKey is YCKQBSISDJSSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-8-9-13(16(20)19(4)5)11-14(12)18-15-7-6-10-17(15,2)3/h8-9,11,15,18H,6-7,10H2,1-5H3.
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide?
3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide has a molecular weight of 274.41 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)amino]-N,N,4-trimethylbenzamide is sourced from PubChem (CID 79860799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).