N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide

C16H21NO3 — CID 126851990

IUPACN-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC1(O)C=CCCC1
InChIInChI=1S/C16H21NO3/c1-13-7-3-4-8-14(13)20-11-15(18)17-12-16(19)9-5-2-6-10-16/h3-5,7-9,19H,2,6,10-12H2,1H3,(H,17,18)
InChIKeyICKBEUMXOZGYHK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds5

About N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide

N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 126851990) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID126851990
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC1(O)C=CCCC1
InChIInChI=1S/C16H21NO3/c1-13-7-3-4-8-14(13)20-11-15(18)17-12-16(19)9-5-2-6-10-16/h3-5,7-9,19H,2,6,10-12H2,1H3,(H,17,18)
InChIKeyICKBEUMXOZGYHK-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(2-methylphenoxy)acetamide
CID 42266086
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118
N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 115668941
N-[(2R)-2-hydroxypropyl]-2-(2-methylphenoxy)acetamide
CID 83032241
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
2-(2,3-dimethylphenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716344
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
N-[2-[[2-(2-methylphenoxy)acetyl]amino]ethyl]cyclopropanecarboxamide
CID 47102199
2-(2-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 747103
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(2-methylphenoxy)acetamide
CID 26834283

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide (CID 126851990) is N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCC1(O)C=CCCC1.
What is the InChIKey of N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is ICKBEUMXOZGYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-13-7-3-4-8-14(13)20-11-15(18)17-12-16(19)9-5-2-6-10-16/h3-5,7-9,19H,2,6,10-12H2,1H3,(H,17,18).
What are the key properties of N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 126851990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).