(Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide

C23H20N2O2 — CID 124925153

IUPAC(Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c2ccccc12
InChIInChI=1S/C23H20N2O2/c1-15-7-6-8-16(2)22(15)25-23(26)18(14-24)13-17-11-12-21(27-3)20-10-5-4-9-19(17)20/h4-13H,1-3H3,(H,25,26)/b18-13-
InChIKeyYANHFUFLVMKUTQ-AQTBWJFISA-N
MW356.43 g/mol
LogP5.01
Rot. Bonds4

About (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide

(Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 124925153) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
PubChem CID124925153
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name(Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c2ccccc12
InChIInChI=1S/C23H20N2O2/c1-15-7-6-8-16(2)22(15)25-23(26)18(14-24)13-17-11-12-21(27-3)20-10-5-4-9-19(17)20/h4-13H,1-3H3,(H,25,26)/b18-13-
InChIKeyYANHFUFLVMKUTQ-AQTBWJFISA-N
XLogP5.01
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.01
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-methoxy-2-propan-2-yloxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 47005679
(E)-2-cyano-N-(2,6-dimethylphenyl)-3-phenylprop-2-enamide
CID 729380
(Z)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(3,4-dimethylphenyl)prop-2-enamide
CID 99905493
(Z)-2-cyano-3-(2-ethoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 19183626
(Z)-2-cyano-3-(2,4-dichlorophenyl)-N-(2,6-dimethylphenyl)prop-2-enamide
CID 22299402
(E)-2-cyano-N-(2,6-diethylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 19175490
(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 8865972
2-cyano-N-(4-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4288774
2-cyano-N-(2,6-dimethylphenyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78649930
(E)-2-cyano-3-(2,3-dimethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 7515684
2-cyano-N-(2,6-dimethylphenyl)-3-(4-ethoxy-2-hydroxyphenyl)prop-2-enamide
CID 3631827
(Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-ethoxy-2-hydroxyphenyl)prop-2-enamide
CID 2414220

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide (CID 124925153) is (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide is COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c2ccccc12.
What is the InChIKey of (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is YANHFUFLVMKUTQ-AQTBWJFISA-N. The full InChI is InChI=1S/C23H20N2O2/c1-15-7-6-8-16(2)22(15)25-23(26)18(14-24)13-17-11-12-21(27-3)20-10-5-4-9-19(17)20/h4-13H,1-3H3,(H,25,26)/b18-13-.
What are the key properties of (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide?
(Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 356.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,6-dimethylphenyl)-3-(4-methoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 124925153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).