N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

C20H29NO2 — CID 177377392

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H29NO2/c1-15(2)18-10-9-16(3)19(13-18)23-14-20(22)21-12-11-17-7-5-4-6-8-17/h7,9-10,13,15H,4-6,8,11-12,14H2,1-3H3,(H,21,22)
InChIKeyVPEPWBOFQOUJPZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (PubChem CID 177377392) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
PubChem CID177377392
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCCC1=CCCCC1
InChIInChI=1S/C20H29NO2/c1-15(2)18-10-9-16(3)19(13-18)23-14-20(22)21-12-11-17-7-5-4-6-8-17/h7,9-10,13,15H,4-6,8,11-12,14H2,1-3H3,(H,21,22)
InChIKeyVPEPWBOFQOUJPZ-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-4-propan-2-ylphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 1314158
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 18293065
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 837554
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(2,5-dimethylphenoxy)ethyl]urea
CID 112973432
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 26054504
2-(2-cyanophenoxy)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 2706736
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713905
N-[2-(cyclohexen-1-yl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 703716
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519612

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide (CID 177377392) is N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)cc1OCC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
The InChIKey is VPEPWBOFQOUJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-15(2)18-10-9-16(3)19(13-18)23-14-20(22)21-12-11-17-7-5-4-6-8-17/h7,9-10,13,15H,4-6,8,11-12,14H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide has a molecular weight of 315.46 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 177377392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).