2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide

C20H31NO3 — CID 12004061

IUPAC2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
SMILESCCCCCC1CCC(NC(=O)Cc2ccc(O)c(OC)c2)CC1
InChIInChI=1S/C20H31NO3/c1-3-4-5-6-15-7-10-17(11-8-15)21-20(23)14-16-9-12-18(22)19(13-16)24-2/h9,12-13,15,17,22H,3-8,10-11,14H2,1-2H3,(H,21,23)
InChIKeyMATSOGSESOEEGV-UHFFFAOYSA-N
MW333.47 g/mol
LogP4.20
Rot. Bonds8

About 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide

2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide (PubChem CID 12004061) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
PubChem CID12004061
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
SMILESCCCCCC1CCC(NC(=O)Cc2ccc(O)c(OC)c2)CC1
InChIInChI=1S/C20H31NO3/c1-3-4-5-6-15-7-10-17(11-8-15)21-20(23)14-16-9-12-18(22)19(13-16)24-2/h9,12-13,15,17,22H,3-8,10-11,14H2,1-2H3,(H,21,23)
InChIKeyMATSOGSESOEEGV-UHFFFAOYSA-N
XLogP4.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 12004095
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
2-(4-aminophenyl)-N-(4-butylcyclohexyl)acetamide;hydrochloride
CID 119750326
2-(4-hydroxy-3-methoxyphenyl)-N-[4-(3-methylbutylidene)cyclohexyl]acetamide
CID 12004064
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
2-(3-bromo-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110767767
N-dodec-1-enyl-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 57250205
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
2-methoxy-4-[2-(3-nonyloxiran-2-yl)ethyl]phenol
CID 137432150
3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propyl-[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propylazaniumyl]butyl]azanium
CID 71597495
N-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
2-methoxy-4-[2-[(4R,6R)-6-pentyl-1,3-dioxan-4-yl]ethyl]phenol
CID 163059421

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide (CID 12004061) is 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide is CCCCCC1CCC(NC(=O)Cc2ccc(O)c(OC)c2)CC1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide?
The InChIKey is MATSOGSESOEEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO3/c1-3-4-5-6-15-7-10-17(11-8-15)21-20(23)14-16-9-12-18(22)19(13-16)24-2/h9,12-13,15,17,22H,3-8,10-11,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide?
2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide has a molecular weight of 333.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide is sourced from PubChem (CID 12004061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).