2,2-dimethyl-N-propylpropanamide

C8H17NO — CID 4185221

IUPAC2,2-dimethyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-9-7(10)8(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKeyCFJZAIYRSLDQRS-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.56
Rot. Bonds2

About 2,2-dimethyl-N-propylpropanamide

2,2-dimethyl-N-propylpropanamide (PubChem CID 4185221) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2,2-dimethyl-N-propylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-propylpropanamide
PubChem CID4185221
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2,2-dimethyl-N-propylpropanamide
SMILESCCCNC(=O)C(C)(C)C
InChIInChI=1S/C8H17NO/c1-5-6-9-7(10)8(2,3)4/h5-6H2,1-4H3,(H,9,10)
InChIKeyCFJZAIYRSLDQRS-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propylpropanamide?
The IUPAC name of 2,2-dimethyl-N-propylpropanamide (CID 4185221) is 2,2-dimethyl-N-propylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-propylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-propylpropanamide is CCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-propylpropanamide?
The InChIKey is CFJZAIYRSLDQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-5-6-9-7(10)8(2,3)4/h5-6H2,1-4H3,(H,9,10).
What are the key properties of 2,2-dimethyl-N-propylpropanamide?
2,2-dimethyl-N-propylpropanamide has a molecular weight of 143.23 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propylpropanamide is sourced from PubChem (CID 4185221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).