N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

C20H29NO3 — CID 12004095

IUPACN-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2CCC(CCC3CC3)CC2)ccc1O
InChIInChI=1S/C20H29NO3/c1-24-19-12-16(8-11-18(19)22)13-20(23)21-17-9-6-15(7-10-17)5-4-14-2-3-14/h8,11-12,14-15,17,22H,2-7,9-10,13H2,1H3,(H,21,23)
InChIKeyKVTUKPCXJVOOOW-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide (PubChem CID 12004095) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
PubChem CID12004095
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC NameN-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NC2CCC(CCC3CC3)CC2)ccc1O
InChIInChI=1S/C20H29NO3/c1-24-19-12-16(8-11-18(19)22)13-20(23)21-17-9-6-15(7-10-17)5-4-14-2-3-14/h8,11-12,14-15,17,22H,2-7,9-10,13H2,1H3,(H,21,23)
InChIKeyKVTUKPCXJVOOOW-UHFFFAOYSA-N
XLogP3.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-N-(4-pentylcyclohexyl)acetamide
CID 12004061
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464
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-(4-aminocyclohexyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119474491
N-[3-(2-cyclohexylethyl)phenyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22019671
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717
2-(4-hydroxy-3-methoxyphenyl)acetic acid;hydrate
CID 141474134
3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propyl-[4-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propylazaniumyl]butyl]azanium
CID 71597495
4-[[(4-aminocyclohexyl)amino]methyl]-2-methoxyphenol
CID 62312790
3,3,3-trifluoro-N-[(3R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 100717220

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide (CID 12004095) is N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide is COc1cc(CC(=O)NC2CCC(CCC3CC3)CC2)ccc1O.
What is the InChIKey of N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
The InChIKey is KVTUKPCXJVOOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c1-24-19-12-16(8-11-18(19)22)13-20(23)21-17-9-6-15(7-10-17)5-4-14-2-3-14/h8,11-12,14-15,17,22H,2-7,9-10,13H2,1H3,(H,21,23).
What are the key properties of N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide?
N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyclopropylethyl)cyclohexyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide is sourced from PubChem (CID 12004095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).