N-but-2-enoxy-N-prop-2-ynylacetamide

C9H13NO2 — CID 173425955

IUPACN-but-2-enoxy-N-prop-2-ynylacetamide
SMILESC#CCN(OCC=CC)C(C)=O
InChIInChI=1S/C9H13NO2/c1-4-6-8-12-10(7-5-2)9(3)11/h2,4,6H,7-8H2,1,3H3
InChIKeyFZVPCIIAEYVGMY-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds4

About N-but-2-enoxy-N-prop-2-ynylacetamide

N-but-2-enoxy-N-prop-2-ynylacetamide (PubChem CID 173425955) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-but-2-enoxy-N-prop-2-ynylacetamide.

Molecular Properties

Compound NameN-but-2-enoxy-N-prop-2-ynylacetamide
PubChem CID173425955
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-but-2-enoxy-N-prop-2-ynylacetamide
SMILESC#CCN(OCC=CC)C(C)=O
InChIInChI=1S/C9H13NO2/c1-4-6-8-12-10(7-5-2)9(3)11/h2,4,6H,7-8H2,1,3H3
InChIKeyFZVPCIIAEYVGMY-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-but-2-enyl] pent-4-ynoate
CID 14112484
N-acetyl-N-prop-2-ynylacetamide
CID 14025452
methoxy(prop-2-ynyl)carbamic acid
CID 90159471
N-prop-2-ynoxy-N-prop-2-ynyldodecanamide
CID 13289990
[(E)-but-2-enyl] 2,2-dibromoacetate
CID 19833073
N-nitroso-N-prop-2-ynylacetamide
CID 15169450
N-but-2-enoxyprop-2-yn-1-amine
CID 54524941
but-2-enyl 3-methylbut-2-enoate
CID 57303003
[(E)-but-2-enyl] hydrogen sulfite
CID 87156182
4-O-[(E)-but-2-enyl] 1-O-methyl (Z)-but-2-enedioate
CID 102248901
N-(2-hydroxyphenyl)-N-prop-2-ynylacetamide
CID 12581419
tert-butyl N-[(E)-4-bromobut-2-enyl]-N-prop-2-ynylcarbamate
CID 102176875

Frequently Asked Questions

What is the IUPAC name of N-but-2-enoxy-N-prop-2-ynylacetamide?
The IUPAC name of N-but-2-enoxy-N-prop-2-ynylacetamide (CID 173425955) is N-but-2-enoxy-N-prop-2-ynylacetamide.
What is the SMILES notation for N-but-2-enoxy-N-prop-2-ynylacetamide?
The canonical SMILES for N-but-2-enoxy-N-prop-2-ynylacetamide is C#CCN(OCC=CC)C(C)=O.
What is the InChIKey of N-but-2-enoxy-N-prop-2-ynylacetamide?
The InChIKey is FZVPCIIAEYVGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-4-6-8-12-10(7-5-2)9(3)11/h2,4,6H,7-8H2,1,3H3.
What are the key properties of N-but-2-enoxy-N-prop-2-ynylacetamide?
N-but-2-enoxy-N-prop-2-ynylacetamide has a molecular weight of 167.21 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-enoxy-N-prop-2-ynylacetamide is sourced from PubChem (CID 173425955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).