4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide

C13H27NO2 — CID 21366392

IUPAC4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide
SMILESCCCOC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C13H27NO2/c1-7-8-16-11(9-13(4,5)6)12(15)14-10(2)3/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyWQRDOPRAEFWBNR-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.74
Rot. Bonds6

About 4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide

4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide (PubChem CID 21366392) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide
PubChem CID21366392
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide
SMILESCCCOC(CC(C)(C)C)C(=O)NC(C)C
InChIInChI=1S/C13H27NO2/c1-7-8-16-11(9-13(4,5)6)12(15)14-10(2)3/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyWQRDOPRAEFWBNR-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide?
The IUPAC name of 4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide (CID 21366392) is 4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide.
What is the SMILES notation for 4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide?
The canonical SMILES for 4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide is CCCOC(CC(C)(C)C)C(=O)NC(C)C.
What is the InChIKey of 4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide?
The InChIKey is WQRDOPRAEFWBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-7-8-16-11(9-13(4,5)6)12(15)14-10(2)3/h10-11H,7-9H2,1-6H3,(H,14,15).
What are the key properties of 4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide?
4,4-dimethyl-N-propan-2-yl-2-propoxypentanamide has a molecular weight of 229.36 g/mol, XLogP of 2.74, 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-propoxypentanamide is sourced from PubChem (CID 21366392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).