(Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide

C14H17N3O3 — CID 20849753

IUPAC(Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C\N(C)C)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-17(2)9-10(8-15)14(18)16-12-6-5-11(19-3)7-13(12)20-4/h5-7,9H,1-4H3,(H,16,18)/b10-9-
InChIKeyZUWXXISCYRTZSJ-KTKRTIGZSA-N
MW275.31 g/mol
LogP1.61
Rot. Bonds5

About (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide

(Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide (PubChem CID 20849753) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide
PubChem CID20849753
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C\N(C)C)c(OC)c1
InChIInChI=1S/C14H17N3O3/c1-17(2)9-10(8-15)14(18)16-12-6-5-11(19-3)7-13(12)20-4/h5-7,9H,1-4H3,(H,16,18)/b10-9-
InChIKeyZUWXXISCYRTZSJ-KTKRTIGZSA-N
XLogP1.61
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.61
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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Related Compounds

(E)-2-cyano-N-(2,4-dimethoxyphenyl)-3-phenylprop-2-enamide
CID 19169431
(Z)-2-cyano-3-(2,4-dimethoxyanilino)-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857887
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,4-dimethoxyanilino)prop-2-enamide
CID 108824427
(Z)-3-[acetyl(2-aminoethyl)amino]-2-cyano-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 108850521
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
(Z)-2-cyano-3-(2,5-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858177
2-cyano-3-(dimethylamino)-N-(2-fluoro-4-hydroxyphenyl)prop-2-enamide
CID 3329094
(E)-2-cyano-3-(2,4-dimethoxyphenyl)-N-(2-ethylphenyl)prop-2-enamide
CID 50927872
2-(2,4-dimethoxyanilino)ethene-1,1,2-tricarbonitrile
CID 168610584
N-(2,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 101065891
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2-methoxy-4-nitrophenyl)prop-2-enamide
CID 108852710
N-[(Z)-2-cyano-3-(2,5-dimethoxyanilino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108850543

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide (CID 20849753) is (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide is COc1ccc(NC(=O)/C(C#N)=C\N(C)C)c(OC)c1.
What is the InChIKey of (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide?
The InChIKey is ZUWXXISCYRTZSJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17(2)9-10(8-15)14(18)16-12-6-5-11(19-3)7-13(12)20-4/h5-7,9H,1-4H3,(H,16,18)/b10-9-.
What are the key properties of (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide?
(Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide has a molecular weight of 275.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enamide is sourced from PubChem (CID 20849753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).