(2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide

C13H26N2O2 — CID 5289290

IUPAC(2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide
SMILESCCC(CC)NC(=O)CC(C(N)=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16)
InChIKeyUVHRROJQACYJNP-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.83
Rot. Bonds6

About (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide

(2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide (PubChem CID 5289290) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide.

Molecular Properties

Compound Name(2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide
PubChem CID5289290
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide
SMILESCCC(CC)NC(=O)CC(C(N)=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16)
InChIKeyUVHRROJQACYJNP-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide?
The IUPAC name of (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide (CID 5289290) is (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide.
What is the SMILES notation for (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide?
The canonical SMILES for (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide is CCC(CC)NC(=O)CC(C(N)=O)C(C)(C)C.
What is the InChIKey of (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide?
The InChIKey is UVHRROJQACYJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-9(7-2)15-11(16)8-10(12(14)17)13(3,4)5/h9-10H,6-8H2,1-5H3,(H2,14,17)(H,15,16).
What are the key properties of (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide?
(2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide has a molecular weight of 242.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-N'-pentan-3-ylbutanediamide is sourced from PubChem (CID 5289290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).