(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide

C22H24N2O2 — CID 7966917

IUPAC(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide
SMILESCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C22H24N2O2/c1-3-4-7-14-26-20-12-10-18(11-13-20)15-19(16-23)22(25)24-21-9-6-5-8-17(21)2/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,24,25)/b19-15+
InChIKeyYHKFQZJXUMGGMU-XDJHFCHBSA-N
MW348.45 g/mol
LogP5.11
Rot. Bonds8

About (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide

(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide (PubChem CID 7966917) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide
PubChem CID7966917
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide
SMILESCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C22H24N2O2/c1-3-4-7-14-26-20-12-10-18(11-13-20)15-19(16-23)22(25)24-21-9-6-5-8-17(21)2/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,24,25)/b19-15+
InChIKeyYHKFQZJXUMGGMU-XDJHFCHBSA-N
XLogP5.11
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-cyano-N-(2-fluorophenyl)-3-(4-hexoxyphenyl)prop-2-enamide
CID 3645178
2-cyano-N-(2,4-dimethylphenyl)-3-(4-octoxyphenyl)prop-2-enamide
CID 4557148
(Z)-2-cyano-3-[4-(3-methylbutoxy)phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 78786079
(Z)-2-cyano-N-(2-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 98859448
(E)-3-(4-butoxyphenyl)-2-cyano-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19175521
2-cyano-N-(2-methylphenyl)-3-[4-[2-(4-methylphenyl)sulfanylethoxy]phenyl]prop-2-enamide
CID 4640944
(E)-3-(4-butoxy-3-methoxyphenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 2402235
(Z)-2-cyano-N-(2,3-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 26476001
(E)-2-cyano-3-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(2-methylphenyl)prop-2-enamide
CID 6170562
(E)-3-(4-butoxyphenyl)-2-cyano-N-(2,6-diethylphenyl)prop-2-enamide
CID 19175266
(E)-2-cyano-3-(4-propoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 19177181
(E)-2-cyano-N-(4-ethylphenyl)-3-(4-hexoxyphenyl)prop-2-enamide
CID 7911825

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide (CID 7966917) is (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide is CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide?
The InChIKey is YHKFQZJXUMGGMU-XDJHFCHBSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-4-7-14-26-20-12-10-18(11-13-20)15-19(16-23)22(25)24-21-9-6-5-8-17(21)2/h5-6,8-13,15H,3-4,7,14H2,1-2H3,(H,24,25)/b19-15+.
What are the key properties of (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide?
(E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide has a molecular weight of 348.45 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-methylphenyl)-3-(4-pentoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7966917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).