(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide

C18H18N2O2 — CID 6214104

IUPAC(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C/c1cccc2ccccc12
InChIInChI=1S/C18H18N2O2/c1-22-11-5-10-20-18(21)16(13-19)12-15-8-4-7-14-6-2-3-9-17(14)15/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21)/b16-12+
InChIKeyWJCHAFAJOQNXSA-FOWTUZBSSA-N
MW294.35 g/mol
LogP2.90
Rot. Bonds6

About (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide

(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 6214104) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID6214104
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide
SMILESCOCCCNC(=O)/C(C#N)=C/c1cccc2ccccc12
InChIInChI=1S/C18H18N2O2/c1-22-11-5-10-20-18(21)16(13-19)12-15-8-4-7-14-6-2-3-9-17(14)15/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21)/b16-12+
InChIKeyWJCHAFAJOQNXSA-FOWTUZBSSA-N
XLogP2.90
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.90
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'}

Analyze (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-cyano-N-(3-methoxypropyl)-3-(2-phenylmethoxyphenyl)prop-2-enamide
CID 7912298
3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 3437484
(Z)-2-cyano-N-(3-methoxypropyl)-3-(2-methyl-1H-indol-3-yl)prop-2-enamide
CID 7275678
2-cyano-N-(3-methoxypropyl)-3-(4-methylphenyl)prop-2-enamide
CID 4549023
(E)-2-cyano-N-(3-methoxypropyl)-3-quinoxalin-2-ylprop-2-enamide
CID 9365550
(E)-2-cyano-N-(3-ethoxypropyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2713691
(Z)-2-cyano-3-[(5-hydroxynaphthalen-1-yl)amino]-N-(3-methoxypropyl)prop-2-enamide
CID 108836588
(E)-2-cyano-3-(4-cyanophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 6214109
(2E,4E)-2-cyano-N-(3-methoxypropyl)-5-phenylpenta-2,4-dienamide
CID 6076664
3-(4-tert-butylphenyl)-2-cyano-N-(3-methoxypropyl)prop-2-enamide
CID 3749505
2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
CID 685348
(E)-2-cyano-N-(2-methoxyethyl)-3-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 2423454

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide (CID 6214104) is (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide is COCCCNC(=O)/C(C#N)=C/c1cccc2ccccc12.
What is the InChIKey of (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is WJCHAFAJOQNXSA-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-11-5-10-20-18(21)16(13-19)12-15-8-4-7-14-6-2-3-9-17(14)15/h2-4,6-9,12H,5,10-11H2,1H3,(H,20,21)/b16-12+.
What are the key properties of (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide?
(E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 294.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(3-methoxypropyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 6214104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).