N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide

C18H27NO2 — CID 90498765

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC(O)C2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-2-6-14-9-11-16(12-10-14)18(21)19-13-17(20)15-7-4-3-5-8-15/h9-12,15,17,20H,2-8,13H2,1H3,(H,19,21)
InChIKeyUIACQIOVEXJVAF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.31
Rot. Bonds6

About N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide

N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide (PubChem CID 90498765) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
PubChem CID90498765
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC(O)C2CCCCC2)cc1
InChIInChI=1S/C18H27NO2/c1-2-6-14-9-11-16(12-10-14)18(21)19-13-17(20)15-7-4-3-5-8-15/h9-12,15,17,20H,2-8,13H2,1H3,(H,19,21)
InChIKeyUIACQIOVEXJVAF-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
4-bromo-N-[(2R)-2-cyclohexyl-2-hydroxyethyl]benzamide
CID 95292167
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-4-phenylbenzamide
CID 95367502
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97218721
N-(2-cyclohexyl-2-hydroxyethyl)-4-thiophen-3-ylbenzamide
CID 91624535
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]thiophene-3-carboxamide
CID 95292148
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790
N-(2-cyclopentyl-2-hydroxyethyl)furan-3-carboxamide
CID 111426324
4-[[(2-cyclohexyl-2-hydroxyethyl)carbamoylamino]methyl]benzoic acid
CID 122019598

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide (CID 90498765) is N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide is CCCc1ccc(C(=O)NCC(O)C2CCCCC2)cc1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide?
The InChIKey is UIACQIOVEXJVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-6-14-9-11-16(12-10-14)18(21)19-13-17(20)15-7-4-3-5-8-15/h9-12,15,17,20H,2-8,13H2,1H3,(H,19,21).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide?
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide is sourced from PubChem (CID 90498765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).