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

C19H32N2O2 — CID 113166263

IUPAC2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCCC1
InChIInChI=1S/C19H32N2O2/c1-16(22)21(18-11-7-2-3-8-12-18)15-19(23)20-14-13-17-9-5-4-6-10-17/h9,18H,2-8,10-15H2,1H3,(H,20,23)
InChIKeyIXFIKDWTRVKJJB-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.56
Rot. Bonds6

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

2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 113166263) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID113166263
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCCC1
InChIInChI=1S/C19H32N2O2/c1-16(22)21(18-11-7-2-3-8-12-18)15-19(23)20-14-13-17-9-5-4-6-10-17/h9,18H,2-8,10-15H2,1H3,(H,20,23)
InChIKeyIXFIKDWTRVKJJB-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.56
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-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 62016038
N-[2-(cyclohexen-1-yl)ethyl]-3-[cyclohexyl(methylsulfonyl)amino]propanamide
CID 113137374
N-[2-(cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 126371917
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858733
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635191
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
2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277011

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of 2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 113166263) is 2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCCC1.
What is the InChIKey of 2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is IXFIKDWTRVKJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-16(22)21(18-11-7-2-3-8-12-18)15-19(23)20-14-13-17-9-5-4-6-10-17/h9,18H,2-8,10-15H2,1H3,(H,20,23).
What are the key properties of 2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 320.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 113166263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).