(E)-N,N'-di(propan-2-yl)but-2-enediamide

C10H18N2O2 — CID 24973364

IUPAC(E)-N,N'-di(propan-2-yl)but-2-enediamide
SMILESCC(C)NC(=O)/C=C/C(=O)NC(C)C
InChIInChI=1S/C10H18N2O2/c1-7(2)11-9(13)5-6-10(14)12-8(3)4/h5-8H,1-4H3,(H,11,13)(H,12,14)/b6-5+
InChIKeyKBABPEPBRCQOGG-AATRIKPKSA-N
MW198.27 g/mol
LogP0.59
Rot. Bonds4

About (E)-N,N'-di(propan-2-yl)but-2-enediamide

(E)-N,N'-di(propan-2-yl)but-2-enediamide (PubChem CID 24973364) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (E)-N,N'-di(propan-2-yl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-di(propan-2-yl)but-2-enediamide
PubChem CID24973364
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(E)-N,N'-di(propan-2-yl)but-2-enediamide
SMILESCC(C)NC(=O)/C=C/C(=O)NC(C)C
InChIInChI=1S/C10H18N2O2/c1-7(2)11-9(13)5-6-10(14)12-8(3)4/h5-8H,1-4H3,(H,11,13)(H,12,14)/b6-5+
InChIKeyKBABPEPBRCQOGG-AATRIKPKSA-N
XLogP0.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-di(propan-2-yl)but-2-enediamide?
The IUPAC name of (E)-N,N'-di(propan-2-yl)but-2-enediamide (CID 24973364) is (E)-N,N'-di(propan-2-yl)but-2-enediamide.
What is the SMILES notation for (E)-N,N'-di(propan-2-yl)but-2-enediamide?
The canonical SMILES for (E)-N,N'-di(propan-2-yl)but-2-enediamide is CC(C)NC(=O)/C=C/C(=O)NC(C)C.
What is the InChIKey of (E)-N,N'-di(propan-2-yl)but-2-enediamide?
The InChIKey is KBABPEPBRCQOGG-AATRIKPKSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-7(2)11-9(13)5-6-10(14)12-8(3)4/h5-8H,1-4H3,(H,11,13)(H,12,14)/b6-5+.
What are the key properties of (E)-N,N'-di(propan-2-yl)but-2-enediamide?
(E)-N,N'-di(propan-2-yl)but-2-enediamide has a molecular weight of 198.27 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-di(propan-2-yl)but-2-enediamide is sourced from PubChem (CID 24973364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).