N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide

C17H24N2O2 — CID 2672657

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)C2CCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-12-8-9-13(2)15(10-12)18-16(20)11-19(3)17(21)14-6-4-5-7-14/h8-10,14H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyLXGOISWZZUIKBF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.89
Rot. Bonds4

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide (PubChem CID 2672657) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
PubChem CID2672657
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)C2CCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-12-8-9-13(2)15(10-12)18-16(20)11-19(3)17(21)14-6-4-5-7-14/h8-10,14H,4-7,11H2,1-3H3,(H,18,20)
InChIKeyLXGOISWZZUIKBF-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide (CID 2672657) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)C2CCCC2)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
The InChIKey is LXGOISWZZUIKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-8-9-13(2)15(10-12)18-16(20)11-19(3)17(21)14-6-4-5-7-14/h8-10,14H,4-7,11H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 2672657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).