2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

C16H28N2O2 — CID 113166064

IUPAC2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCC1=CCCCC1)C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-13(19)18(16(2,3)4)12-15(20)17-11-10-14-8-6-5-7-9-14/h8H,5-7,9-12H2,1-4H3,(H,17,20)
InChIKeyWHRRDIGDCOTNGT-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.64
Rot. Bonds5

About 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide

2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 113166064) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID113166064
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCC1=CCCCC1)C(C)(C)C
InChIInChI=1S/C16H28N2O2/c1-13(19)18(16(2,3)4)12-15(20)17-11-10-14-8-6-5-7-9-14/h8H,5-7,9-12H2,1-4H3,(H,17,20)
InChIKeyWHRRDIGDCOTNGT-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.64
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-[tert-butyl-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 79262989
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
2-(N-acetyl-2-ethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113169023
2-(N-acetyl-3,4-dimethylanilino)-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113168247
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858733
N-[2-(cyclohexen-1-yl)ethyl]-N'-cyclopropyl-2,2-dimethylpropanediamide
CID 108957378
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62016038
N'-tert-butyl-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2914644
2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277011
ethyl 3-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-methylamino]propanoate
CID 62011450

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 113166064) is 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(=O)N(CC(=O)NCCC1=CCCCC1)C(C)(C)C.
What is the InChIKey of 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is WHRRDIGDCOTNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(19)18(16(2,3)4)12-15(20)17-11-10-14-8-6-5-7-9-14/h8H,5-7,9-12H2,1-4H3,(H,17,20).
What are the key properties of 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 280.41 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 113166064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).