N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide

C15H21NO2 — CID 111425752

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)C2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11-5-4-8-13(9-11)15(18)16-10-14(17)12-6-2-3-7-12/h4-5,8-9,12,14,17H,2-3,6-7,10H2,1H3,(H,16,18)
InChIKeyRDSNWWGUGQZDRV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.28
Rot. Bonds4

About N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide

N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide (PubChem CID 111425752) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
PubChem CID111425752
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(O)C2CCCC2)c1
InChIInChI=1S/C15H21NO2/c1-11-5-4-8-13(9-11)15(18)16-10-14(17)12-6-2-3-7-12/h4-5,8-9,12,14,17H,2-3,6-7,10H2,1H3,(H,16,18)
InChIKeyRDSNWWGUGQZDRV-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97218721
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
N-(2-amino-2-cyclopropylethyl)-3-methylbenzamide
CID 63765168
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
N-(2-cyclopentyl-2-hydroxyethyl)-2,5-dimethylbenzamide
CID 111425732
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111477761
N-(2-cyclopentyl-2-hydroxyethyl)-3-methyl-5-nitrobenzamide
CID 111425871
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
3-cyano-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294478
N-[2-(cyclopentylsulfamoyl)ethyl]-3-methylbenzamide
CID 110345713
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N-(2-cyclohexyl-2-hydroxyethyl)-4-methyl-3-nitrobenzamide
CID 90498788

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide (CID 111425752) is N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide is Cc1cccc(C(=O)NCC(O)C2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide?
The InChIKey is RDSNWWGUGQZDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-5-4-8-13(9-11)15(18)16-10-14(17)12-6-2-3-7-12/h4-5,8-9,12,14,17H,2-3,6-7,10H2,1H3,(H,16,18).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide?
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide is sourced from PubChem (CID 111425752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).