2-tert-butyl-N-propan-2-ylpentanamide

C12H25NO — CID 21366388

IUPAC2-tert-butyl-N-propan-2-ylpentanamide
SMILESCCCC(C(=O)NC(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-7-8-10(12(4,5)6)11(14)13-9(2)3/h9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyPRFUYGODUBIONI-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.97
Rot. Bonds4

About 2-tert-butyl-N-propan-2-ylpentanamide

2-tert-butyl-N-propan-2-ylpentanamide (PubChem CID 21366388) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-tert-butyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-tert-butyl-N-propan-2-ylpentanamide
PubChem CID21366388
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-tert-butyl-N-propan-2-ylpentanamide
SMILESCCCC(C(=O)NC(C)C)C(C)(C)C
InChIInChI=1S/C12H25NO/c1-7-8-10(12(4,5)6)11(14)13-9(2)3/h9-10H,7-8H2,1-6H3,(H,13,14)
InChIKeyPRFUYGODUBIONI-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-propan-2-ylpentanamide?
The IUPAC name of 2-tert-butyl-N-propan-2-ylpentanamide (CID 21366388) is 2-tert-butyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-tert-butyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-tert-butyl-N-propan-2-ylpentanamide is CCCC(C(=O)NC(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-propan-2-ylpentanamide?
The InChIKey is PRFUYGODUBIONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-7-8-10(12(4,5)6)11(14)13-9(2)3/h9-10H,7-8H2,1-6H3,(H,13,14).
What are the key properties of 2-tert-butyl-N-propan-2-ylpentanamide?
2-tert-butyl-N-propan-2-ylpentanamide has a molecular weight of 199.34 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 21366388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).