N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide

C16H32N2O2 — CID 59942773

IUPACN,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide
SMILESCCC(C)NC(=O)C(C)CC(CC)C(=O)NC(C)CC
InChIInChI=1S/C16H32N2O2/c1-7-12(5)17-15(19)11(4)10-14(9-3)16(20)18-13(6)8-2/h11-14H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyZPWPOYOSZOLDOB-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds9

About N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide

N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide (PubChem CID 59942773) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide.

Molecular Properties

Compound NameN,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide
PubChem CID59942773
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide
SMILESCCC(C)NC(=O)C(C)CC(CC)C(=O)NC(C)CC
InChIInChI=1S/C16H32N2O2/c1-7-12(5)17-15(19)11(4)10-14(9-3)16(20)18-13(6)8-2/h11-14H,7-10H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyZPWPOYOSZOLDOB-UHFFFAOYSA-N
XLogP2.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide?
The IUPAC name of N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide (CID 59942773) is N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide.
What is the SMILES notation for N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide?
The canonical SMILES for N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide is CCC(C)NC(=O)C(C)CC(CC)C(=O)NC(C)CC.
What is the InChIKey of N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide?
The InChIKey is ZPWPOYOSZOLDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-7-12(5)17-15(19)11(4)10-14(9-3)16(20)18-13(6)8-2/h11-14H,7-10H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide?
N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide has a molecular weight of 284.44 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(butan-2-yl)-2-ethyl-4-methylpentanediamide is sourced from PubChem (CID 59942773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).