N-ethyl-2-(propanoylamino)prop-2-enamide

C8H14N2O2 — CID 45123031

IUPACN-ethyl-2-(propanoylamino)prop-2-enamide
SMILESC=C(NC(=O)CC)C(=O)NCC
InChIInChI=1S/C8H14N2O2/c1-4-7(11)10-6(3)8(12)9-5-2/h3-5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyCCVBRCSCBGRLFA-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.16
Rot. Bonds4

About N-ethyl-2-(propanoylamino)prop-2-enamide

N-ethyl-2-(propanoylamino)prop-2-enamide (PubChem CID 45123031) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-ethyl-2-(propanoylamino)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-2-(propanoylamino)prop-2-enamide
PubChem CID45123031
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-ethyl-2-(propanoylamino)prop-2-enamide
SMILESC=C(NC(=O)CC)C(=O)NCC
InChIInChI=1S/C8H14N2O2/c1-4-7(11)10-6(3)8(12)9-5-2/h3-5H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyCCVBRCSCBGRLFA-UHFFFAOYSA-N
XLogP0.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 15658709
CID 15658709
CID 45119268
CID 45119268
CID 76315086
CID 76315086
CID 76315090
CID 76315090
CID 76329580
CID 76329580
CID 15337749
CID 15337749
CID 88291479
CID 88291479
CID 89310859
CID 89310859
CID 12004285
CID 12004285
CID 45119267
CID 45119267
CID 76315087
CID 76315087
CID 170583105
CID 170583105

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(propanoylamino)prop-2-enamide?
The IUPAC name of N-ethyl-2-(propanoylamino)prop-2-enamide (CID 45123031) is N-ethyl-2-(propanoylamino)prop-2-enamide.
What is the SMILES notation for N-ethyl-2-(propanoylamino)prop-2-enamide?
The canonical SMILES for N-ethyl-2-(propanoylamino)prop-2-enamide is C=C(NC(=O)CC)C(=O)NCC.
What is the InChIKey of N-ethyl-2-(propanoylamino)prop-2-enamide?
The InChIKey is CCVBRCSCBGRLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-7(11)10-6(3)8(12)9-5-2/h3-5H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of N-ethyl-2-(propanoylamino)prop-2-enamide?
N-ethyl-2-(propanoylamino)prop-2-enamide has a molecular weight of 170.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(propanoylamino)prop-2-enamide is sourced from PubChem (CID 45123031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).