N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide

C18H27NO2 — CID 143724454

IUPACN-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCC(CCO)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)15-5-7-16(8-6-15)18(21)19-17-9-3-14(4-10-17)11-12-20/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyIPLWERNCGZGNOG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.48
Rot. Bonds5

About N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide

N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide (PubChem CID 143724454) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
PubChem CID143724454
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NC2CCC(CCO)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-13(2)15-5-7-16(8-6-15)18(21)19-17-9-3-14(4-10-17)11-12-20/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3,(H,19,21)
InChIKeyIPLWERNCGZGNOG-UHFFFAOYSA-N
XLogP3.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-propan-2-yl-N-[4-[(4-propan-2-ylbenzoyl)amino]cyclohexyl]benzamide
CID 1001424
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-propan-2-ylbenzamide
CID 43603743
4-tert-butyl-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]benzamide
CID 108561415
N-(4-aminocyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 119474628
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-[4-(2-methylpropyl)cyclohexyl]benzamide
CID 165058594
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-propan-2-ylbenzamide
CID 8589992
N-(4-hydroxycyclohexyl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 60587824
N-[2-(chloromethyl)cyclopentyl]-4-propan-2-ylbenzamide
CID 114179364

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide (CID 143724454) is N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NC2CCC(CCO)CC2)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide?
The InChIKey is IPLWERNCGZGNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-13(2)15-5-7-16(8-6-15)18(21)19-17-9-3-14(4-10-17)11-12-20/h5-8,13-14,17,20H,3-4,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide?
N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide has a molecular weight of 289.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)cyclohexyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 143724454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).