N-(2-ethoxycyclooct-3-en-1-yl)acetamide

C12H21NO2 — CID 123693476

IUPACN-(2-ethoxycyclooct-3-en-1-yl)acetamide
SMILESCCOC1C=CCCCCC1NC(C)=O
InChIInChI=1S/C12H21NO2/c1-3-15-12-9-7-5-4-6-8-11(12)13-10(2)14/h7,9,11-12H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyFEEHMLURSDERPM-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.03
Rot. Bonds3

About N-(2-ethoxycyclooct-3-en-1-yl)acetamide

N-(2-ethoxycyclooct-3-en-1-yl)acetamide (PubChem CID 123693476) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(2-ethoxycyclooct-3-en-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethoxycyclooct-3-en-1-yl)acetamide
PubChem CID123693476
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(2-ethoxycyclooct-3-en-1-yl)acetamide
SMILESCCOC1C=CCCCCC1NC(C)=O
InChIInChI=1S/C12H21NO2/c1-3-15-12-9-7-5-4-6-8-11(12)13-10(2)14/h7,9,11-12H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyFEEHMLURSDERPM-UHFFFAOYSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.03
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

[(Z,2S,3R)-2-acetamidohexadec-11-en-3-yl] acetate
CID 10735860
[(Z,2S,3R)-2-acetamidohexadec-9-en-3-yl] acetate
CID 10854594
N-[(3R,4S)-4-prop-2-enoxynon-1-en-3-yl]acetamide
CID 164672103
[(2S,3R,11E)-2-acetamidohexadeca-11,15-dien-3-yl] acetate
CID 10582586
Formamide, N-9-oxabicyclo[3.3.1]non-6-en-2-yl-, endo-
CID 548995
N-[(1R,2R,6R)-4,6-dimethyl-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 58150806
N-[(1R,2R,6S)-4-methyl-2-pentan-3-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076453
N-[(1R,2R,6S)-4-methyl-2-propan-2-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076486
N-[(1R,2R,6S)-6-ethenyl-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076498
N-[(1R,2R,6R)-6-ethenyl-4-methyl-2-propan-2-yloxycyclohex-3-en-1-yl]acetamide
CID 59076501
N-[(1R,2R,6R)-4-methyl-2-propan-2-yloxy-6-prop-2-enoxycyclohex-3-en-1-yl]acetamide
CID 59076544
N-[(1R,6S)-4-methyl-2-propan-2-yloxy-6-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076604

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxycyclooct-3-en-1-yl)acetamide?
The IUPAC name of N-(2-ethoxycyclooct-3-en-1-yl)acetamide (CID 123693476) is N-(2-ethoxycyclooct-3-en-1-yl)acetamide.
What is the SMILES notation for N-(2-ethoxycyclooct-3-en-1-yl)acetamide?
The canonical SMILES for N-(2-ethoxycyclooct-3-en-1-yl)acetamide is CCOC1C=CCCCCC1NC(C)=O.
What is the InChIKey of N-(2-ethoxycyclooct-3-en-1-yl)acetamide?
The InChIKey is FEEHMLURSDERPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-15-12-9-7-5-4-6-8-11(12)13-10(2)14/h7,9,11-12H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-ethoxycyclooct-3-en-1-yl)acetamide?
N-(2-ethoxycyclooct-3-en-1-yl)acetamide has a molecular weight of 211.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxycyclooct-3-en-1-yl)acetamide is sourced from PubChem (CID 123693476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).