(Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide

C15H18N2O2 — CID 27060391

IUPAC(Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(N)=O)cc1C(C)(C)C
InChIInChI=1S/C15H18N2O2/c1-15(2,3)12-8-10(5-6-13(12)19-4)7-11(9-16)14(17)18/h5-8H,1-4H3,(H2,17,18)/b11-7-
InChIKeyLQPCRHQPXFMPMK-XFFZJAGNSA-N
MW258.32 g/mol
LogP2.38
Rot. Bonds3

About (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide

(Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide (PubChem CID 27060391) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide
PubChem CID27060391
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(N)=O)cc1C(C)(C)C
InChIInChI=1S/C15H18N2O2/c1-15(2,3)12-8-10(5-6-13(12)19-4)7-11(9-16)14(17)18/h5-8H,1-4H3,(H2,17,18)/b11-7-
InChIKeyLQPCRHQPXFMPMK-XFFZJAGNSA-N
XLogP2.38
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[(3-tert-butyl-4-methoxyphenyl)methylidene]propanedinitrile
CID 4191127
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 6116921
[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-(2-tert-butylphenoxy)acetate
CID 19179927
2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 78289437
2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 3068706
(Z)-2-cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 92968609
2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78565472
methyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3437873
[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-methoxyacetate
CID 19184446
(E)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 6025938
2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4165571
(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 6281097

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide?
The IUPAC name of (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide (CID 27060391) is (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide?
The canonical SMILES for (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide is COc1ccc(/C=C(/C#N)C(N)=O)cc1C(C)(C)C.
What is the InChIKey of (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide?
The InChIKey is LQPCRHQPXFMPMK-XFFZJAGNSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2,3)12-8-10(5-6-13(12)19-4)7-11(9-16)14(17)18/h5-8H,1-4H3,(H2,17,18)/b11-7-.
What are the key properties of (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide?
(Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide has a molecular weight of 258.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 27060391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).