(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide

C19H18N2O2 — CID 2688723

IUPAC(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(C#N)=C/c1c(OCC)ccc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-3-11-21-19(22)15(13-20)12-17-16-8-6-5-7-14(16)9-10-18(17)23-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,21,22)/b15-12+
InChIKeyWQARHTBJBBQKMV-NTCAYCPXSA-N
MW306.37 g/mol
LogP3.45
Rot. Bonds6

About (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide

(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide (PubChem CID 2688723) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide
PubChem CID2688723
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)/C(C#N)=C/c1c(OCC)ccc2ccccc12
InChIInChI=1S/C19H18N2O2/c1-3-11-21-19(22)15(13-20)12-17-16-8-6-5-7-14(16)9-10-18(17)23-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,21,22)/b15-12+
InChIKeyWQARHTBJBBQKMV-NTCAYCPXSA-N
XLogP3.45
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide
CID 126253375
(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
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-ethoxynaphthalen-1-yl)prop-2-enamide
CID 7912082
N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 4520205
(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide
CID 19183485
(E)-2-cyano-3-(2-ethyl-1-benzofuran-3-yl)-N-prop-2-enylprop-2-enamide
CID 9334013
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
CID 3578383
(E)-3-(2-ethoxynaphthalen-1-yl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile
CID 1356957
2-cyano-3-[2-(2-methylphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-N-prop-2-enylprop-2-enamide
CID 3775699
(E)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2-propoxynaphthalen-1-yl)prop-2-enamide
CID 8865996
(Z)-2-cyano-3-(4-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 2133142

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide (CID 2688723) is (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)/C(C#N)=C/c1c(OCC)ccc2ccccc12.
What is the InChIKey of (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide?
The InChIKey is WQARHTBJBBQKMV-NTCAYCPXSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-3-11-21-19(22)15(13-20)12-17-16-8-6-5-7-14(16)9-10-18(17)23-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,21,22)/b15-12+.
What are the key properties of (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide?
(E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide has a molecular weight of 306.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 2688723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).