N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide

C16H23NO2 — CID 54993921

IUPACN-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CCO)C2CCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12-9-13(2)11-14(10-12)16(19)17(7-8-18)15-5-3-4-6-15/h9-11,15,18H,3-8H2,1-2H3
InChIKeyIYQSRZHMRORJHZ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.68
Rot. Bonds4

About N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide

N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide (PubChem CID 54993921) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
PubChem CID54993921
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)N(CCO)C2CCCC2)c1
InChIInChI=1S/C16H23NO2/c1-12-9-13(2)11-14(10-12)16(19)17(7-8-18)15-5-3-4-6-15/h9-11,15,18H,3-8H2,1-2H3
InChIKeyIYQSRZHMRORJHZ-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)-5-methylbenzamide
CID 104852405
N-(2-aminoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 63755882
N-(2-chloroethyl)-N-cyclobutyl-3,5-dimethylbenzamide
CID 102872881
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3,5-dimethylbenzamide
CID 47212500
N-cyclobutyl-N-(2-hydroxyethyl)-3,5-dimethoxy-4-methylbenzamide
CID 102684529
N-cyclohexyl-N-(2-hydroxyethyl)-5-methylfuran-3-carboxamide
CID 114821743
3-chloro-N-(2-chloroethyl)-N-cyclohexyl-5-methylbenzamide
CID 81324250
3-bromo-N-(2-hydroxyethyl)-5-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 104852406
N-(2-bromoethyl)-N-cyclobutyl-3-fluoro-5-methylbenzamide
CID 102873053
N-cyclopentyl-N-(2-hydroxyethyl)-4-methylsulfanylbenzamide
CID 54994461
N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide?
The IUPAC name of N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide (CID 54993921) is N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)N(CCO)C2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide?
The InChIKey is IYQSRZHMRORJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-9-13(2)11-14(10-12)16(19)17(7-8-18)15-5-3-4-6-15/h9-11,15,18H,3-8H2,1-2H3.
What are the key properties of N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide?
N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide has a molecular weight of 261.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(2-hydroxyethyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 54993921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).