N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide

C22H18N2O2 — CID 4520205

IUPACN-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc2ccccc2c1C=C(C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C22H18N2O2/c1-26-21-12-11-17-9-5-6-10-19(17)20(21)13-18(14-23)22(25)24-15-16-7-3-2-4-8-16/h2-13H,15H2,1H3,(H,24,25)
InChIKeyARMPISHPPRENMA-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.07
Rot. Bonds5

About N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide

N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 4520205) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
PubChem CID4520205
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC NameN-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
SMILESCOc1ccc2ccccc2c1C=C(C#N)C(=O)NCc1ccccc1
InChIInChI=1S/C22H18N2O2/c1-26-21-12-11-17-9-5-6-10-19(17)20(21)13-18(14-23)22(25)24-15-16-7-3-2-4-8-16/h2-13H,15H2,1H3,(H,24,25)
InChIKeyARMPISHPPRENMA-UHFFFAOYSA-N
XLogP4.07
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.07
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-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide
CID 19183485
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
CID 3578383
N-benzyl-2-cyano-3-(4-ethoxy-3,5-dimethoxyphenyl)prop-2-enamide
CID 76879719
(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide
CID 126253375
(E)-N-benzyl-2-cyano-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 31389237
(Z)-N-benzyl-2-cyano-3-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 124570330
(E)-N-benzyl-2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 35635544
(E)-N-benzyl-3-(3-chloro-4,5-dimethoxyphenyl)-2-cyanoprop-2-enamide
CID 7515561
(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide
CID 2688723
(E)-N-benzyl-2-cyano-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 7966899
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 3604448

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide (CID 4520205) is N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide is COc1ccc2ccccc2c1C=C(C#N)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is ARMPISHPPRENMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-21-12-11-17-9-5-6-10-19(17)20(21)13-18(14-23)22(25)24-15-16-7-3-2-4-8-16/h2-13H,15H2,1H3,(H,24,25).
What are the key properties of N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide?
N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 342.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 4520205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).