(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide

C25H24N2O2 — CID 126253375

IUPAC(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide
SMILESCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCCCc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-2-29-24-15-14-20-12-6-7-13-22(20)23(24)17-21(18-26)25(28)27-16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-15,17H,2,8,11,16H2,1H3,(H,27,28)/b21-17-
InChIKeyGTKGVHCLFIPBCO-FXBPSFAMSA-N
MW384.48 g/mol
LogP4.89
Rot. Bonds8

About (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide

(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide (PubChem CID 126253375) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide
PubChem CID126253375
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide
SMILESCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCCCc1ccccc1
InChIInChI=1S/C25H24N2O2/c1-2-29-24-15-14-20-12-6-7-13-22(20)23(24)17-21(18-26)25(28)27-16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-15,17H,2,8,11,16H2,1H3,(H,27,28)/b21-17-
InChIKeyGTKGVHCLFIPBCO-FXBPSFAMSA-N
XLogP4.89
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.89
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

(E)-N-butyl-2-cyano-3-(2-propoxynaphthalen-1-yl)prop-2-enamide
CID 8866638
(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide
CID 2688723
N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 4520205
(Z)-3-(5-bromo-3-ethoxy-2-hydroxyphenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126236232
(Z)-3-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-ethoxyphenyl]-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126226825
(Z)-2-cyano-3-[3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3-phenylpropyl)prop-2-enamide
CID 126257026
(Z)-2-cyano-N-cyclopentyl-3-(2-ethoxynaphthalen-1-yl)prop-2-enamide
CID 126196041
(Z)-2-cyano-3-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126250926
(Z)-3-(2-bromo-5-ethoxy-4-methoxyphenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126238354
(Z)-3-(3-bromo-5-ethoxy-4-prop-2-ynoxyphenyl)-2-cyano-N-(3-phenylpropyl)prop-2-enamide
CID 126237573
(Z)-2-cyano-3-(4-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126246844
(Z)-2-cyano-3-(2-methoxyphenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 126244030

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide (CID 126253375) is (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide is CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCCCc1ccccc1.
What is the InChIKey of (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide?
The InChIKey is GTKGVHCLFIPBCO-FXBPSFAMSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-2-29-24-15-14-20-12-6-7-13-22(20)23(24)17-21(18-26)25(28)27-16-8-11-19-9-4-3-5-10-19/h3-7,9-10,12-15,17H,2,8,11,16H2,1H3,(H,27,28)/b21-17-.
What are the key properties of (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide?
(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide has a molecular weight of 384.48 g/mol, XLogP of 4.89, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide is sourced from PubChem (CID 126253375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).