N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide

C13H23NO3 — CID 148512966

IUPACN-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCCC(=O)/C=C/C(C)C
InChIInChI=1S/C13H23NO3/c1-11(2)6-7-13(16)5-4-9-17-10-8-14-12(3)15/h6-7,11H,4-5,8-10H2,1-3H3,(H,14,15)/b7-6+
InChIKeyMMWDPLSHMDSUBL-VOTSOKGWSA-N
MW241.33 g/mol
LogP1.70
Rot. Bonds9

About N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide

N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide (PubChem CID 148512966) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide
PubChem CID148512966
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC NameN-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide
SMILESCC(=O)NCCOCCCC(=O)/C=C/C(C)C
InChIInChI=1S/C13H23NO3/c1-11(2)6-7-13(16)5-4-9-17-10-8-14-12(3)15/h6-7,11H,4-5,8-10H2,1-3H3,(H,14,15)/b7-6+
InChIKeyMMWDPLSHMDSUBL-VOTSOKGWSA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylpentoxy)ethyl]acetamide
CID 138727622
N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]acetamide
CID 153390509
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
3-[2-(2-acetamidoethoxy)ethoxy]-N-(2-acetamidoethyl)propanamide
CID 142430015
N-[2-[2-[2-[2-(4-sulfanylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 156794689
N-[2-(2-butoxyethoxy)ethyl]acetamide;ethane
CID 163393772
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390666
N-[2-(2-acetamidoethoxy)ethyl]-2-propan-2-yloxyacetamide
CID 142616646
N-[2-(2-acetamidoethoxy)ethyl]-3-oxobutanamide
CID 91082226
ethane;N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]acetamide
CID 153390665
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]-N-(2-fluoroethyl)propanamide
CID 164592894
N-[3-[2-[2-(3-acetamidopropoxy)ethoxy]ethoxy]propyl]-6-oxoheptanamide
CID 142462796

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide?
The IUPAC name of N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide (CID 148512966) is N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide.
What is the SMILES notation for N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide?
The canonical SMILES for N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide is CC(=O)NCCOCCCC(=O)/C=C/C(C)C.
What is the InChIKey of N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide?
The InChIKey is MMWDPLSHMDSUBL-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H23NO3/c1-11(2)6-7-13(16)5-4-9-17-10-8-14-12(3)15/h6-7,11H,4-5,8-10H2,1-3H3,(H,14,15)/b7-6+.
What are the key properties of N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide?
N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-7-methyl-4-oxooct-5-enoxy]ethyl]acetamide is sourced from PubChem (CID 148512966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).