2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide

C16H22N2O2 — CID 69162594

IUPAC2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(N)=O)c(CCC2CCCC2)c1C(N)=O
InChIInChI=1S/C16H22N2O2/c1-10-6-8-13(15(17)19)12(14(10)16(18)20)9-7-11-4-2-3-5-11/h6,8,11H,2-5,7,9H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyRQBICWDYKIWNJW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.32
Rot. Bonds5

About 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide

2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide (PubChem CID 69162594) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
PubChem CID69162594
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide
SMILESCc1ccc(C(N)=O)c(CCC2CCCC2)c1C(N)=O
InChIInChI=1S/C16H22N2O2/c1-10-6-8-13(15(17)19)12(14(10)16(18)20)9-7-11-4-2-3-5-11/h6,8,11H,2-5,7,9H2,1H3,(H2,17,19)(H2,18,20)
InChIKeyRQBICWDYKIWNJW-UHFFFAOYSA-N
XLogP2.32
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide
CID 69208381
2-(2-cyclopentylethyl)-4-methyl-3-[6-[(2,2,2-trifluoroacetyl)amino]-3-pyridinyl]benzamide
CID 87748702
2-(2-cyclopentylethyl)-4-methyl-3-[6-(methylcarbamoylamino)-3-pyridinyl]benzamide;formamide
CID 69208380
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105
3,4-dimethyl-2-propylbenzamide
CID 154390636
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
2,3-diethyl-6-methylbenzamide
CID 174760493
3-amino-2-cyclohexyl-4-methylbenzamide
CID 19091643
4-(2-cyclohexylethylamino)-2-methylbenzenecarbothioamide
CID 81276546
4-amino-2-(2-cyclopentylethyl)pyrimidine-5-carboxamide
CID 70687942
3-chloro-4-methyl-2-propylbenzamide
CID 141280601
2,3-dihexyl-4-methylbenzamide
CID 154326325

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide (CID 69162594) is 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide is Cc1ccc(C(N)=O)c(CCC2CCCC2)c1C(N)=O.
What is the InChIKey of 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide?
The InChIKey is RQBICWDYKIWNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-6-8-13(15(17)19)12(14(10)16(18)20)9-7-11-4-2-3-5-11/h6,8,11H,2-5,7,9H2,1H3,(H2,17,19)(H2,18,20).
What are the key properties of 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide?
2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethyl)-4-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 69162594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).