3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide

C12H22N2O3 — CID 123497793

IUPAC3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide
SMILESCC=CC(=CC)CNC(=O)C(CN)(OC)OC
InChIInChI=1S/C12H22N2O3/c1-5-7-10(6-2)8-14-11(15)12(9-13,16-3)17-4/h5-7H,8-9,13H2,1-4H3,(H,14,15)
InChIKeyNIVXNHDDPVRQKL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.57
Rot. Bonds7

About 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide

3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide (PubChem CID 123497793) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide
PubChem CID123497793
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide
SMILESCC=CC(=CC)CNC(=O)C(CN)(OC)OC
InChIInChI=1S/C12H22N2O3/c1-5-7-10(6-2)8-14-11(15)12(9-13,16-3)17-4/h5-7H,8-9,13H2,1-4H3,(H,14,15)
InChIKeyNIVXNHDDPVRQKL-UHFFFAOYSA-N
XLogP0.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide?
The IUPAC name of 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide (CID 123497793) is 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide.
What is the SMILES notation for 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide?
The canonical SMILES for 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide is CC=CC(=CC)CNC(=O)C(CN)(OC)OC.
What is the InChIKey of 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide?
The InChIKey is NIVXNHDDPVRQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-7-10(6-2)8-14-11(15)12(9-13,16-3)17-4/h5-7H,8-9,13H2,1-4H3,(H,14,15).
What are the key properties of 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide?
3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide has a molecular weight of 242.32 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-ethylidenepent-3-enyl)-2,2-dimethoxypropanamide is sourced from PubChem (CID 123497793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).