2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide

C19H18N2O4 — CID 3518624

IUPAC2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide
SMILESCOc1cc(C=C(C#N)C(N)=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-23-18-12-14(11-15(13-20)19(21)22)7-8-17(18)25-10-9-24-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3,(H2,21,22)
InChIKeyFRANPNXPGXZNQY-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.55
Rot. Bonds8

About 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide

2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide (PubChem CID 3518624) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide
PubChem CID3518624
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide
SMILESCOc1cc(C=C(C#N)C(N)=O)ccc1OCCOc1ccccc1
InChIInChI=1S/C19H18N2O4/c1-23-18-12-14(11-15(13-20)19(21)22)7-8-17(18)25-10-9-24-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3,(H2,21,22)
InChIKeyFRANPNXPGXZNQY-UHFFFAOYSA-N
XLogP2.55
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]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

2-cyano-3-[3-methoxy-4-(2-phenylethoxy)phenyl]prop-2-enamide
CID 71424089
(E)-2-cyano-3-[3-ethoxy-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enamide
CID 6062149
(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
3-[4-[2-(4-chlorophenoxy)ethoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoic acid
CID 20991416
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 7126688
(E)-2-cyano-3-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 6245005
2-cyano-3-[3-ethoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 5001447
2-cyano-3-[3-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl]prop-2-enamide
CID 3656313
methyl (E)-3-[4-[2-(3-bromophenoxy)ethoxy]-3-methoxyphenyl]-2-cyanoprop-2-enoate
CID 35770710
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 22680499
(E)-2-cyano-3-[3-methoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]prop-2-enamide
CID 171616672

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide?
The IUPAC name of 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide (CID 3518624) is 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide?
The canonical SMILES for 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide is COc1cc(C=C(C#N)C(N)=O)ccc1OCCOc1ccccc1.
What is the InChIKey of 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide?
The InChIKey is FRANPNXPGXZNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-18-12-14(11-15(13-20)19(21)22)7-8-17(18)25-10-9-24-16-5-3-2-4-6-16/h2-8,11-12H,9-10H2,1H3,(H2,21,22).
What are the key properties of 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide?
2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide has a molecular weight of 338.36 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 3518624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).