N-tert-butyl-4,4-dimethyl-2-propoxypentanamide

C14H29NO2 — CID 20790267

IUPACN-tert-butyl-4,4-dimethyl-2-propoxypentanamide
SMILESCCCOC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyUNQVAPNNPJWULA-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.13
Rot. Bonds5

About N-tert-butyl-4,4-dimethyl-2-propoxypentanamide

N-tert-butyl-4,4-dimethyl-2-propoxypentanamide (PubChem CID 20790267) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethyl-2-propoxypentanamide
PubChem CID20790267
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-tert-butyl-4,4-dimethyl-2-propoxypentanamide
SMILESCCCOC(CC(C)(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h11H,8-10H2,1-7H3,(H,15,16)
InChIKeyUNQVAPNNPJWULA-UHFFFAOYSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
The IUPAC name of N-tert-butyl-4,4-dimethyl-2-propoxypentanamide (CID 20790267) is N-tert-butyl-4,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for N-tert-butyl-4,4-dimethyl-2-propoxypentanamide is CCCOC(CC(C)(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
The InChIKey is UNQVAPNNPJWULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-8-9-17-11(10-13(2,3)4)12(16)15-14(5,6)7/h11H,8-10H2,1-7H3,(H,15,16).
What are the key properties of N-tert-butyl-4,4-dimethyl-2-propoxypentanamide?
N-tert-butyl-4,4-dimethyl-2-propoxypentanamide has a molecular weight of 243.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 20790267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).