(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide

C16H14N2O2 — CID 19183485

IUPAC(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-18-16(19)12(10-17)9-14-13-6-4-3-5-11(13)7-8-15(14)20-2/h3-9H,1-2H3,(H,18,19)/b12-9-
InChIKeySLFROTBSWXZNON-XFXZXTDPSA-N
MW266.30 g/mol
LogP2.50
Rot. Bonds3

About (Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide

(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide (PubChem CID 19183485) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide
PubChem CID19183485
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12
InChIInChI=1S/C16H14N2O2/c1-18-16(19)12(10-17)9-14-13-6-4-3-5-11(13)7-8-15(14)20-2/h3-9H,1-2H3,(H,18,19)/b12-9-
InChIKeySLFROTBSWXZNON-XFXZXTDPSA-N
XLogP2.50
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.50
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

N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 4520205
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
CID 3578383
(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2-propoxynaphthalen-1-yl)prop-2-enamide
CID 8865996
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]prop-2-enamide
CID 3604448
(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide
CID 2688723
(Z)-2-cyano-N-cyclopentyl-3-(2-ethoxynaphthalen-1-yl)prop-2-enamide
CID 126196041
(E)-N-butyl-2-cyano-3-(2-propoxynaphthalen-1-yl)prop-2-enamide
CID 8866638
2-cyano-3-(2-hydroxynaphthalen-1-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 1269810
(Z)-2-cyano-3-(2-propan-2-yloxynaphthalen-1-yl)prop-2-enamide
CID 958381
(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide
CID 126253375
(Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 126377624
(E)-2-(4-bromophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 2243420

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide (CID 19183485) is (Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide is CNC(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12.
What is the InChIKey of (Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide?
The InChIKey is SLFROTBSWXZNON-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-18-16(19)12(10-17)9-14-13-6-4-3-5-11(13)7-8-15(14)20-2/h3-9H,1-2H3,(H,18,19)/b12-9-.
What are the key properties of (Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide?
(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide has a molecular weight of 266.30 g/mol, XLogP of 2.50, 3 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-methoxynaphthalen-1-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 19183485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).