(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide

C16H19NO — CID 47131724

IUPAC(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H19NO/c1-2-3-4-12-16(18)17-15-11-7-9-13-8-5-6-10-14(13)15/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H,17,18)/b3-2+,12-4+
InChIKeyXNQZHDWVKUXWTK-TWKNZMHGSA-N
MW241.33 g/mol
LogP3.64
Rot. Bonds3

About (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide

(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide (PubChem CID 47131724) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide
PubChem CID47131724
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C16H19NO/c1-2-3-4-12-16(18)17-15-11-7-9-13-8-5-6-10-14(13)15/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H,17,18)/b3-2+,12-4+
InChIKeyXNQZHDWVKUXWTK-TWKNZMHGSA-N
XLogP3.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide 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

4-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-ylamino)but-2-enoate
CID 7218047
ethane;N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 178170556
3-(4-tert-butylphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76617104
3-(5-methylfuran-2-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 76856320
methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
2-chloro-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 18070040
1-tert-butyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 5016526
N-(5,6,7,8-tetrahydronaphthalen-1-yl)butanamide
CID 652088
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)prop-2-enamide
CID 16545693
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
2-[2-(hexa-2,4-dienoylamino)phenyl]acetic acid
CID 76946219

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide (CID 47131724) is (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide?
The InChIKey is XNQZHDWVKUXWTK-TWKNZMHGSA-N. The full InChI is InChI=1S/C16H19NO/c1-2-3-4-12-16(18)17-15-11-7-9-13-8-5-6-10-14(13)15/h2-4,7,9,11-12H,5-6,8,10H2,1H3,(H,17,18)/b3-2+,12-4+.
What are the key properties of (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide?
(2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide has a molecular weight of 241.33 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)hexa-2,4-dienamide is sourced from PubChem (CID 47131724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).