4-methyl-N-propan-2-yl-2-propoxypent-4-enamide

C12H23NO2 — CID 21366394

IUPAC4-methyl-N-propan-2-yl-2-propoxypent-4-enamide
SMILESC=C(C)CC(OCCC)C(=O)NC(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-15-11(8-9(2)3)12(14)13-10(4)5/h10-11H,2,6-8H2,1,3-5H3,(H,13,14)
InChIKeyAOBLOIIHZRDBHL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds7

About 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide

4-methyl-N-propan-2-yl-2-propoxypent-4-enamide (PubChem CID 21366394) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-2-propoxypent-4-enamide
PubChem CID21366394
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-methyl-N-propan-2-yl-2-propoxypent-4-enamide
SMILESC=C(C)CC(OCCC)C(=O)NC(C)C
InChIInChI=1S/C12H23NO2/c1-6-7-15-11(8-9(2)3)12(14)13-10(4)5/h10-11H,2,6-8H2,1,3-5H3,(H,13,14)
InChIKeyAOBLOIIHZRDBHL-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide?
The IUPAC name of 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide (CID 21366394) is 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide.
What is the SMILES notation for 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide?
The canonical SMILES for 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide is C=C(C)CC(OCCC)C(=O)NC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide?
The InChIKey is AOBLOIIHZRDBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-6-7-15-11(8-9(2)3)12(14)13-10(4)5/h10-11H,2,6-8H2,1,3-5H3,(H,13,14).
What are the key properties of 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide?
4-methyl-N-propan-2-yl-2-propoxypent-4-enamide has a molecular weight of 213.32 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-2-propoxypent-4-enamide is sourced from PubChem (CID 21366394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).