(Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide

C13H22N4O2 — CID 659125

IUPAC(Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide
SMILESC/C(=C(\C#N)C(=O)NCCN1CCOCC1)N(C)C
InChIInChI=1S/C13H22N4O2/c1-11(16(2)3)12(10-14)13(18)15-4-5-17-6-8-19-9-7-17/h4-9H2,1-3H3,(H,15,18)/b12-11-
InChIKeyGGEOULLTGBVUDY-QXMHVHEDSA-N
MW266.34 g/mol
LogP-0.21
Rot. Bonds5

About (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide

(Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide (PubChem CID 659125) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide
PubChem CID659125
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide
SMILESC/C(=C(\C#N)C(=O)NCCN1CCOCC1)N(C)C
InChIInChI=1S/C13H22N4O2/c1-11(16(2)3)12(10-14)13(18)15-4-5-17-6-8-19-9-7-17/h4-9H2,1-3H3,(H,15,18)/b12-11-
InChIKeyGGEOULLTGBVUDY-QXMHVHEDSA-N
XLogP-0.21
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide (CID 659125) is (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide is C/C(=C(\C#N)C(=O)NCCN1CCOCC1)N(C)C.
What is the InChIKey of (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide?
The InChIKey is GGEOULLTGBVUDY-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-11(16(2)3)12(10-14)13(18)15-4-5-17-6-8-19-9-7-17/h4-9H2,1-3H3,(H,15,18)/b12-11-.
What are the key properties of (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide?
(Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide has a molecular weight of 266.34 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dimethylamino)-N-(2-morpholin-4-ylethyl)but-2-enamide is sourced from PubChem (CID 659125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).