2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide

C14H16N2O3 — CID 78289437

IUPAC2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCOc1cc(C=C(C#N)C(N)=O)ccc1OC(C)C
InChIInChI=1S/C14H16N2O3/c1-9(2)19-12-5-4-10(7-13(12)18-3)6-11(8-15)14(16)17/h4-7,9H,1-3H3,(H2,16,17)
InChIKeyAEIFOTVPNHBBGZ-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.87
Rot. Bonds5

About 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide

2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 78289437) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID78289437
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCOc1cc(C=C(C#N)C(N)=O)ccc1OC(C)C
InChIInChI=1S/C14H16N2O3/c1-9(2)19-12-5-4-10(7-13(12)18-3)6-11(8-15)14(16)17/h4-7,9H,1-3H3,(H2,16,17)
InChIKeyAEIFOTVPNHBBGZ-UHFFFAOYSA-N
XLogP1.87
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl (E)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 6211720
2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78565472
2-methoxyethyl (Z)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 23007410
[4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-methoxyacetate
CID 19184446
propan-2-yl (E)-2-cyano-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 6213682
methyl 2-cyano-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 3437873
(2E)-2-[(3,4-dimethoxyphenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile
CID 6116921
(E)-2-amino-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enal
CID 39255537
(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
(Z)-3-(3-tert-butyl-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 27060391
ethyl 4-[[(Z)-2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]amino]benzoate
CID 2130588

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide (CID 78289437) is 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide is COc1cc(C=C(C#N)C(N)=O)ccc1OC(C)C.
What is the InChIKey of 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is AEIFOTVPNHBBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)19-12-5-4-10(7-13(12)18-3)6-11(8-15)14(16)17/h4-7,9H,1-3H3,(H2,16,17).
What are the key properties of 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide?
2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 260.29 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 78289437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).