N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide

C13H21NO3 — CID 137383628

IUPACN-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCC(COC)=C1CC1
InChIInChI=1S/C13H21NO3/c1-3-13(15)14-7-4-8-17-10-12(9-16-2)11-5-6-11/h3H,1,4-10H2,2H3,(H,14,15)
InChIKeySOYGWFMJINMBTO-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.43
Rot. Bonds9

About N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide

N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide (PubChem CID 137383628) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide
PubChem CID137383628
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC NameN-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCOCC(COC)=C1CC1
InChIInChI=1S/C13H21NO3/c1-3-13(15)14-7-4-8-17-10-12(9-16-2)11-5-6-11/h3H,1,4-10H2,2H3,(H,14,15)
InChIKeySOYGWFMJINMBTO-UHFFFAOYSA-N
XLogP1.43
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(prop-2-enoylamino)propoxy]propyl]prop-2-enamide
CID 58402359
N-[3-[4-[3-(prop-2-enoylamino)propoxy]butoxy]propyl]prop-2-enamide
CID 11522493
N-[3-(2-hydroxyethoxy)propyl]prop-2-enamide
CID 106305722
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833
N-[3-[dimethoxy(methyl)silyl]propyl]prop-2-enamide
CID 23152140
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
N-[3-[4-acetamido-7-[3-(prop-2-enoylamino)propoxy]-4-[3-[3-(prop-2-enoylamino)propoxy]propyl]heptoxy]propyl]prop-2-enamide
CID 130462282
N-[3-[2-[3-(methylamino)propoxymethyl]-2-(prop-2-enoylamino)-3-[3-(prop-2-enoylamino)propoxy]propoxy]propyl]prop-2-enamide
CID 130306231
N-[3-[ethoxy(iodo)boranyl]oxypropyl]prop-2-enamide
CID 166527488
N-butylprop-2-enamide;hydrofluoride
CID 174533496
N-[5-(oxiran-2-ylmethoxy)pentyl]prop-2-enamide
CID 18188386

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide?
The IUPAC name of N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide (CID 137383628) is N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide is C=CC(=O)NCCCOCC(COC)=C1CC1.
What is the InChIKey of N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide?
The InChIKey is SOYGWFMJINMBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-13(15)14-7-4-8-17-10-12(9-16-2)11-5-6-11/h3H,1,4-10H2,2H3,(H,14,15).
What are the key properties of N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide?
N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide has a molecular weight of 239.31 g/mol, XLogP of 1.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-cyclopropylidene-3-methoxypropoxy)propyl]prop-2-enamide is sourced from PubChem (CID 137383628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).