N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide

C14H28N2O2 — CID 22972709

IUPACN'-tert-butyl-3-propan-2-yl-2-propylbutanediamide
SMILESCCCC(C(N)=O)C(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C14H28N2O2/c1-7-8-10(12(15)17)11(9(2)3)13(18)16-14(4,5)6/h9-11H,7-8H2,1-6H3,(H2,15,17)(H,16,18)
InChIKeyCZAGJVYWWUBPEM-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.07
Rot. Bonds6

About N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide

N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide (PubChem CID 22972709) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide.

Molecular Properties

Compound NameN'-tert-butyl-3-propan-2-yl-2-propylbutanediamide
PubChem CID22972709
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN'-tert-butyl-3-propan-2-yl-2-propylbutanediamide
SMILESCCCC(C(N)=O)C(C(=O)NC(C)(C)C)C(C)C
InChIInChI=1S/C14H28N2O2/c1-7-8-10(12(15)17)11(9(2)3)13(18)16-14(4,5)6/h9-11H,7-8H2,1-6H3,(H2,15,17)(H,16,18)
InChIKeyCZAGJVYWWUBPEM-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide?
The IUPAC name of N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide (CID 22972709) is N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide.
What is the SMILES notation for N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide?
The canonical SMILES for N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide is CCCC(C(N)=O)C(C(=O)NC(C)(C)C)C(C)C.
What is the InChIKey of N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide?
The InChIKey is CZAGJVYWWUBPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-8-10(12(15)17)11(9(2)3)13(18)16-14(4,5)6/h9-11H,7-8H2,1-6H3,(H2,15,17)(H,16,18).
What are the key properties of N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide?
N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide has a molecular weight of 256.39 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-3-propan-2-yl-2-propylbutanediamide is sourced from PubChem (CID 22972709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).