4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide

C13H25NO2 — CID 21366282

IUPAC4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide
SMILESC=CCOC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C13H25NO2/c1-7-8-16-11(9-13(4,5)6)12(15)14-10(2)3/h7,10-11H,1,8-9H2,2-6H3,(H,14,15)
InChIKeyNNLCZRQOXFBSSH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.52
Rot. Bonds6

About 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide

4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide (PubChem CID 21366282) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide
PubChem CID21366282
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide
SMILESC=CCOC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C13H25NO2/c1-7-8-16-11(9-13(4,5)6)12(15)14-10(2)3/h7,10-11H,1,8-9H2,2-6H3,(H,14,15)
InChIKeyNNLCZRQOXFBSSH-UHFFFAOYSA-N
XLogP2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.52
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 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide?
The IUPAC name of 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide (CID 21366282) is 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide.
What is the SMILES notation for 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide?
The canonical SMILES for 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide is C=CCOC(CC(C)(C)C)C(=O)NC(C)C.
What is the InChIKey of 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide?
The InChIKey is NNLCZRQOXFBSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-7-8-16-11(9-13(4,5)6)12(15)14-10(2)3/h7,10-11H,1,8-9H2,2-6H3,(H,14,15).
What are the key properties of 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide?
4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide has a molecular weight of 227.35 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-propan-2-yl-2-prop-2-enoxypentanamide is sourced from PubChem (CID 21366282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).