2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide

C17H14N2O2 — CID 2853976

IUPAC2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(OCc2ccccc2)c1)C(N)=O
InChIInChI=1S/C17H14N2O2/c18-11-15(17(19)20)9-14-7-4-8-16(10-14)21-12-13-5-2-1-3-6-13/h1-10H,12H2,(H2,19,20)
InChIKeyPHIVNDOXOBANRV-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.66
Rot. Bonds5

About 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide

2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide (PubChem CID 2853976) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
PubChem CID2853976
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
SMILESN#CC(=Cc1cccc(OCc2ccccc2)c1)C(N)=O
InChIInChI=1S/C17H14N2O2/c18-11-15(17(19)20)9-14-7-4-8-16(10-14)21-12-13-5-2-1-3-6-13/h1-10H,12H2,(H2,19,20)
InChIKeyPHIVNDOXOBANRV-UHFFFAOYSA-N
XLogP2.66
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.66
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

(Z)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 44665646
methyl (E)-2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enoate
CID 902994
2-methoxyethyl (E)-2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enoate
CID 2623270
(Z)-2-cyano-3-[3-[(2-cyanophenyl)methoxy]phenyl]prop-2-enamide
CID 56803777
2-cyano-3-(3-phenoxyphenyl)prop-2-enamide
CID 3559677
(E)-2-cyano-N-(1-phenylethyl)-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 6087867
(E)-2-(3-nitrobenzoyl)-3-(3-phenylmethoxyphenyl)prop-2-enenitrile
CID 21381550
(Z)-2-cyano-3-(3-methoxyphenyl)prop-2-enamide
CID 2057524
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide
CID 124646626
(Z)-2-cyano-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
CID 17370059
2-cyano-3-[3-[(2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 22682178
2-ethoxy-3-(3-phenylmethoxyphenyl)prop-2-enoic acid
CID 69009380

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide (CID 2853976) is 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide is N#CC(=Cc1cccc(OCc2ccccc2)c1)C(N)=O.
What is the InChIKey of 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide?
The InChIKey is PHIVNDOXOBANRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c18-11-15(17(19)20)9-14-7-4-8-16(10-14)21-12-13-5-2-1-3-6-13/h1-10H,12H2,(H2,19,20).
What are the key properties of 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide?
2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide has a molecular weight of 278.31 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(3-phenylmethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2853976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).