2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide

C13H23NO2 — CID 65114601

IUPAC2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)CC1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-13(2,16)10-14-12(15)9-11-7-5-4-6-8-11/h7,16H,3-6,8-10H2,1-2H3,(H,14,15)
InChIKeyAWYKCUUZYMLJHU-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.15
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide

2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide (PubChem CID 65114601) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
PubChem CID65114601
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide
SMILESCCC(C)(O)CNC(=O)CC1=CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-13(2,16)10-14-12(15)9-11-7-5-4-6-8-11/h7,16H,3-6,8-10H2,1-2H3,(H,14,15)
InChIKeyAWYKCUUZYMLJHU-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(cyclohexen-1-yl)acetamide
CID 63886786
N-(2-aminoethyl)-2-(cyclohexen-1-yl)acetamide
CID 63564998
2-(cyclohexen-1-yl)-N-[2-(cyclopropylamino)ethyl]acetamide
CID 63563665
N-(2-hydroxy-2-methylbutyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65114973
methyl 2-[[2-(cyclohexen-1-yl)acetyl]amino]-2-methylpentanoate
CID 63564232
2-(cyclohexen-1-yl)-N-[(4-methylcyclohexyl)methyl]acetamide
CID 142231220
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
6-[[2-(cyclohexen-1-yl)acetyl]amino]hexanoic acid
CID 63565537
methyl 2-(cyclohexen-1-yl)acetate
CID 11051874
ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
2-(2-chlorophenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114916
1-(cyclohexen-1-yl)-3-hydroxypropan-2-one
CID 130030095

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide (CID 65114601) is 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide is CCC(C)(O)CNC(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
The InChIKey is AWYKCUUZYMLJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-13(2,16)10-14-12(15)9-11-7-5-4-6-8-11/h7,16H,3-6,8-10H2,1-2H3,(H,14,15).
What are the key properties of 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide?
2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide has a molecular weight of 225.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(2-hydroxy-2-methylbutyl)acetamide is sourced from PubChem (CID 65114601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).