(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide

C18H13N3O2 — CID 56803777

IUPAC(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)C(N)=O
InChIInChI=1S/C18H13N3O2/c19-10-14-5-1-2-6-15(14)12-23-17-7-3-4-13(9-17)8-16(11-20)18(21)22/h1-9H,12H2,(H2,21,22)/b16-8-
InChIKeyHLVUBYWUVQQDIC-PXNMLYILSA-N
MW303.32 g/mol
LogP2.53
Rot. Bonds5

About (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide

(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide (PubChem CID 56803777) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide
PubChem CID56803777
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide
SMILESN#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)C(N)=O
InChIInChI=1S/C18H13N3O2/c19-10-14-5-1-2-6-15(14)12-23-17-7-3-4-13(9-17)8-16(11-20)18(21)22/h1-9H,12H2,(H2,21,22)/b16-8-
InChIKeyHLVUBYWUVQQDIC-PXNMLYILSA-N
XLogP2.53
TPSA99.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.53
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'}

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Related Compounds

2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 2853976
(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 44665646
2-[[3-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590728
2-cyano-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22682178
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
(E)-3-[3-[(2-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enethioamide
CID 6294053
2-[[4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]phenoxy]methyl]benzonitrile
CID 21381952
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 2372249
methyl (E)-2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enoate
CID 902994
(2-cyanophenyl)methyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 8884747
(E)-2-(3-nitrobenzoyl)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile
CID 21381550

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide (CID 56803777) is (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide is N#C/C(=C/c1cccc(OCc2ccccc2C#N)c1)C(N)=O.
What is the InChIKey of (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide?
The InChIKey is HLVUBYWUVQQDIC-PXNMLYILSA-N. The full InChI is InChI=1S/C18H13N3O2/c19-10-14-5-1-2-6-15(14)12-23-17-7-3-4-13(9-17)8-16(11-20)18(21)22/h1-9H,12H2,(H2,21,22)/b16-8-.
What are the key properties of (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide?
(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide has a molecular weight of 303.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide is sourced from PubChem (CID 56803777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).