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

C16H28N2O2 — CID 113159604

IUPAC2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
SMILESCCCCNC(=O)CN(CCC1=CCCCC1)C(C)=O
InChIInChI=1S/C16H28N2O2/c1-3-4-11-17-16(20)13-18(14(2)19)12-10-15-8-6-5-7-9-15/h8H,3-7,9-13H2,1-2H3,(H,17,20)
InChIKeyPKFWOQMYYQYHTN-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.64
Rot. Bonds8

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

2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide (PubChem CID 113159604) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
PubChem CID113159604
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
SMILESCCCCNC(=O)CN(CCC1=CCCCC1)C(C)=O
InChIInChI=1S/C16H28N2O2/c1-3-4-11-17-16(20)13-18(14(2)19)12-10-15-8-6-5-7-9-15/h8H,3-7,9-13H2,1-2H3,(H,17,20)
InChIKeyPKFWOQMYYQYHTN-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113159656
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166855
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-(4-chlorophenyl)acetamide
CID 113159715
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113159748
3-[2-(cyclohexen-1-yl)ethyl-pentanoylamino]propanoic acid
CID 82323533
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-(2-fluorophenyl)acetamide
CID 113053081
2-[acetyl(tert-butyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166064
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113053094
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]benzamide
CID 113053040
2-[acetyl(cycloheptyl)amino]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 113166263
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(cyclohexylcarbamoylamino)ethyl]acetamide
CID 113053087

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide?
The IUPAC name of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide (CID 113159604) is 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide?
The canonical SMILES for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide is CCCCNC(=O)CN(CCC1=CCCCC1)C(C)=O.
What is the InChIKey of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide?
The InChIKey is PKFWOQMYYQYHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-4-11-17-16(20)13-18(14(2)19)12-10-15-8-6-5-7-9-15/h8H,3-7,9-13H2,1-2H3,(H,17,20).
What are the key properties of 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide?
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide has a molecular weight of 280.41 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide is sourced from PubChem (CID 113159604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).