(2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide

C12H20N4O2 — CID 134923462

IUPAC(2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide
SMILESCNC(=O)/C=C(/OC)C(C#N)=C(N(C)C)N(C)C
InChIInChI=1S/C12H20N4O2/c1-14-11(17)7-10(18-6)9(8-13)12(15(2)3)16(4)5/h7H,1-6H3,(H,14,17)/b10-7+
InChIKeyBBDQCEYECQIZQR-JXMROGBWSA-N
MW252.32 g/mol
LogP0.12
Rot. Bonds5

About (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide

(2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide (PubChem CID 134923462) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide
PubChem CID134923462
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide
SMILESCNC(=O)/C=C(/OC)C(C#N)=C(N(C)C)N(C)C
InChIInChI=1S/C12H20N4O2/c1-14-11(17)7-10(18-6)9(8-13)12(15(2)3)16(4)5/h7H,1-6H3,(H,14,17)/b10-7+
InChIKeyBBDQCEYECQIZQR-JXMROGBWSA-N
XLogP0.12
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-cyano-3-(dimethylamino)-3-(methylamino)prop-2-enoate
CID 12510909
methyl 2-cyano-3-(dimethylamino)but-2-enoate
CID 123934872
tris(2-hydroxy-N,N,N'-trimethylbut-2-enediamide);iron
CID 152932850
4-(dimethylamino)-3-hydroxy-N-methylpenta-2,4-dienamide
CID 158030806
(E)-3-fluoro-N-methylbut-2-enamide
CID 118189831
methyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 2732123
2-cyano-3-(dimethylamino)-N-methylprop-2-enamide
CID 3467239
methyl (Z)-2-cyano-3-(dimethylamino)prop-2-enoate
CID 6925004
4,4,4-trifluoro-N-methyl-3-(methylamino)but-2-enamide
CID 73028050
N,N-dimethylacetamide;N-methylprop-2-enamide
CID 174991436
ethane;(E)-3-fluoro-N-methylbut-2-enamide
CID 142290911
3-iodo-N-methylbut-2-enamide
CID 75151971

Frequently Asked Questions

What is the IUPAC name of (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide (CID 134923462) is (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide is CNC(=O)/C=C(/OC)C(C#N)=C(N(C)C)N(C)C.
What is the InChIKey of (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide?
The InChIKey is BBDQCEYECQIZQR-JXMROGBWSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-14-11(17)7-10(18-6)9(8-13)12(15(2)3)16(4)5/h7H,1-6H3,(H,14,17)/b10-7+.
What are the key properties of (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide?
(2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide has a molecular weight of 252.32 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-cyano-5,5-bis(dimethylamino)-3-methoxy-N-methylpenta-2,4-dienamide is sourced from PubChem (CID 134923462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).