N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide

C18H27NO2 — CID 111435900

IUPACN-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
SMILESCCC(CC(=O)NC1CCC(O)CC1)c1ccc(C)cc1
InChIInChI=1S/C18H27NO2/c1-3-14(15-6-4-13(2)5-7-15)12-18(21)19-16-8-10-17(20)11-9-16/h4-7,14,16-17,20H,3,8-12H2,1-2H3,(H,19,21)
InChIKeyFWRVHRLRCDOYQZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.30
Rot. Bonds5

About N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide

N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide (PubChem CID 111435900) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
PubChem CID111435900
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
SMILESCCC(CC(=O)NC1CCC(O)CC1)c1ccc(C)cc1
InChIInChI=1S/C18H27NO2/c1-3-14(15-6-4-13(2)5-7-15)12-18(21)19-16-8-10-17(20)11-9-16/h4-7,14,16-17,20H,3,8-12H2,1-2H3,(H,19,21)
InChIKeyFWRVHRLRCDOYQZ-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide (CID 111435900) is N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide is CCC(CC(=O)NC1CCC(O)CC1)c1ccc(C)cc1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide?
The InChIKey is FWRVHRLRCDOYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-14(15-6-4-13(2)5-7-15)12-18(21)19-16-8-10-17(20)11-9-16/h4-7,14,16-17,20H,3,8-12H2,1-2H3,(H,19,21).
What are the key properties of N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide?
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide has a molecular weight of 289.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide is sourced from PubChem (CID 111435900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).