2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide

C16H21NO3 — CID 56805762

IUPAC2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(O)c(CNC(=O)CC2=CCCCC2)c1
InChIInChI=1S/C16H21NO3/c1-20-14-7-8-15(18)13(10-14)11-17-16(19)9-12-5-3-2-4-6-12/h5,7-8,10,18H,2-4,6,9,11H2,1H3,(H,17,19)
InChIKeyPHLZSWVAKZEBRP-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.91
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide

2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide (PubChem CID 56805762) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide
PubChem CID56805762
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(O)c(CNC(=O)CC2=CCCCC2)c1
InChIInChI=1S/C16H21NO3/c1-20-14-7-8-15(18)13(10-14)11-17-16(19)9-12-5-3-2-4-6-12/h5,7-8,10,18H,2-4,6,9,11H2,1H3,(H,17,19)
InChIKeyPHLZSWVAKZEBRP-UHFFFAOYSA-N
XLogP2.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(cyclopenten-1-yl)ethylamino]methyl]-4-methoxyphenol
CID 103923815
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 103842410
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894
N-[(2-bromophenyl)methyl]-2-(cyclohexen-1-yl)acetamide
CID 63563469
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]butanediamide
CID 5108050
2-(2,5-dihydroxyphenyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 71715351
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine
CID 111793680
1-[2-(cyclohexen-1-yl)ethyl]-3-ethyl-2-[(2-hydroxy-5-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111793679
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
N-[(2-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 115598846
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]propanoate
CID 63564809
N-[2-(4-aminophenoxy)ethyl]-2-(cyclohexen-1-yl)acetamide
CID 63564425

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide (CID 56805762) is 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide is COc1ccc(O)c(CNC(=O)CC2=CCCCC2)c1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide?
The InChIKey is PHLZSWVAKZEBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-20-14-7-8-15(18)13(10-14)11-17-16(19)9-12-5-3-2-4-6-12/h5,7-8,10,18H,2-4,6,9,11H2,1H3,(H,17,19).
What are the key properties of 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide?
2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-[(2-hydroxy-5-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 56805762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).