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

C16H30N2O2 — CID 6385603

IUPAC(E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide
SMILESCC(C)N(C(=O)/C=C/C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H30N2O2/c1-11(2)17(12(3)4)15(19)9-10-16(20)18(13(5)6)14(7)8/h9-14H,1-8H3/b10-9+
InChIKeyUQZUAUYCPQWXFN-MDZDMXLPSA-N
MW282.43 g/mol
LogP2.83
Rot. Bonds6

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

(E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide (PubChem CID 6385603) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide
PubChem CID6385603
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide
SMILESCC(C)N(C(=O)/C=C/C(=O)N(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C16H30N2O2/c1-11(2)17(12(3)4)15(19)9-10-16(20)18(13(5)6)14(7)8/h9-14H,1-8H3/b10-9+
InChIKeyUQZUAUYCPQWXFN-MDZDMXLPSA-N
XLogP2.83
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Isopropylmaleimide
CID 14088
N,N,N',N'-tetraethyl fumaramide
CID 6151773
N,N-Diisopropylacrylamide
CID 559397
2-Butenamide, N,N-diisopropyl-, (E)-
CID 5366037
(E)-N,N'-diisopropylbut-2-enediamide
CID 24973364
1-(Butan-2-yl)-1H-pyrrole-2,5-dione
CID 19388273
N,N'-di(propan-2-yl)but-2-enediamide
CID 74377286
N,N-diethyl acrylamide N,N-dimethylacrylamide
CID 86674667
(E)-N-butan-2-yl-N-methylbut-2-enamide
CID 133626498
1-[2-(Diethylamino)ethyl]pyrrole-2,5-dione
CID 217844
1-[3-(diethylamino)propyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 217846
N,N,N',N'-tetraethylbut-2-enediamide
CID 315719

Frequently Asked Questions

What is the IUPAC name of (E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide?
The IUPAC name of (E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide (CID 6385603) is (E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide.
What is the SMILES notation for (E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide?
The canonical SMILES for (E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide is CC(C)N(C(=O)/C=C/C(=O)N(C(C)C)C(C)C)C(C)C.
What is the InChIKey of (E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide?
The InChIKey is UQZUAUYCPQWXFN-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-11(2)17(12(3)4)15(19)9-10-16(20)18(13(5)6)14(7)8/h9-14H,1-8H3/b10-9+.
What are the key properties of (E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide?
(E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide has a molecular weight of 282.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N,N',N'-tetra(propan-2-yl)but-2-enediamide is sourced from PubChem (CID 6385603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).