N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide

C18H27NO2 — CID 139972009

IUPACN-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide
SMILESCCCCN(C(C)=O)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-4-13-19(14(2)20)17-9-5-15(6-10-17)16-7-11-18(21)12-8-16/h7-8,11-12,15,17,21H,3-6,9-10,13H2,1-2H3
InChIKeyXQYLFGOXELMFBS-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.07
Rot. Bonds5

About N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide

N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide (PubChem CID 139972009) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide
PubChem CID139972009
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide
SMILESCCCCN(C(C)=O)C1CCC(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-4-13-19(14(2)20)17-9-5-15(6-10-17)16-7-11-18(21)12-8-16/h7-8,11-12,15,17,21H,3-6,9-10,13H2,1-2H3
InChIKeyXQYLFGOXELMFBS-UHFFFAOYSA-N
XLogP4.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-butyl-N-cyclopropyl-3-(4-hydroxyphenyl)propanamide
CID 61165075
N-butyl-N-cyclopropyl-2,5-dihydroxybenzamide
CID 103891986
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenol
CID 142281267
N-butyl-N-(1,1-dioxothian-4-yl)acetamide
CID 123376891
4-(1-butylpiperidin-4-yl)phenol
CID 10663044
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091
1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
CID 101058020
N-butyl-N-cyclopropyl-3-hydroxypyridine-2-carboxamide
CID 61443052
3-amino-N-butyl-N-cyclopropyl-2-hydroxybenzamide
CID 113386417
2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 68965839
N-butyl-N-cyclopropyl-4-fluoro-2-hydroxybenzamide
CID 103887557
2-[(dimethylamino)methyl]prop-2-enal;4-(4-heptylcyclohexyl)phenol
CID 142282750

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide?
The IUPAC name of N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide (CID 139972009) is N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide.
What is the SMILES notation for N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide?
The canonical SMILES for N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide is CCCCN(C(C)=O)C1CCC(c2ccc(O)cc2)CC1.
What is the InChIKey of N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide?
The InChIKey is XQYLFGOXELMFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-4-13-19(14(2)20)17-9-5-15(6-10-17)16-7-11-18(21)12-8-16/h7-8,11-12,15,17,21H,3-6,9-10,13H2,1-2H3.
What are the key properties of N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide?
N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[4-(4-hydroxyphenyl)cyclohexyl]acetamide is sourced from PubChem (CID 139972009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).