(2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide

C17H23NSe — CID 10844272

IUPAC(2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide
SMILESC=C/C(CC)=C(/C(=[Se])N(CC)CC)c1ccccc1
InChIInChI=1S/C17H23NSe/c1-5-14(6-2)16(15-12-10-9-11-13-15)17(19)18(7-3)8-4/h5,9-13H,1,6-8H2,2-4H3/b16-14-
InChIKeyDTTYRPDZRXCAEE-PEZBUJJGSA-N
MW320.34 g/mol
LogP3.68
Rot. Bonds7

About (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide

(2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide (PubChem CID 10844272) has the molecular formula C17H23NSe and a molecular weight of 320.34 g/mol. Its IUPAC name is (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide.

Molecular Properties

Compound Name(2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide
PubChem CID10844272
Molecular FormulaC17H23NSe
Molecular Weight320.34 g/mol
Exact Mass321.10
IUPAC Name(2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide
SMILESC=C/C(CC)=C(/C(=[Se])N(CC)CC)c1ccccc1
InChIInChI=1S/C17H23NSe/c1-5-14(6-2)16(15-12-10-9-11-13-15)17(19)18(7-3)8-4/h5,9-13H,1,6-8H2,2-4H3/b16-14-
InChIKeyDTTYRPDZRXCAEE-PEZBUJJGSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide 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

Benzalkonium Chloride
CID 3014024
Selegiline Hydrochloride
CID 26758
Selegiline
CID 26757
Benzododecinium Chloride
CID 8753
Pargyline
CID 4688
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine
CID 1388
Benzylhexadecyldimethylammonium chloride
CID 31202
Benzphetamine
CID 5311017
Benzyldimethylstearylammonium chloride
CID 31204
Benzyltrimethylammonium chloride
CID 5963
Benzyldimethyltetradecylammonium chloride
CID 8755
N,N-Dimethylphenylethylamine
CID 25125

Frequently Asked Questions

What is the IUPAC name of (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide?
The IUPAC name of (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide (CID 10844272) is (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide.
What is the SMILES notation for (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide?
The canonical SMILES for (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide is C=C/C(CC)=C(/C(=[Se])N(CC)CC)c1ccccc1.
What is the InChIKey of (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide?
The InChIKey is DTTYRPDZRXCAEE-PEZBUJJGSA-N. The full InChI is InChI=1S/C17H23NSe/c1-5-14(6-2)16(15-12-10-9-11-13-15)17(19)18(7-3)8-4/h5,9-13H,1,6-8H2,2-4H3/b16-14-.
What are the key properties of (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide?
(2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide has a molecular weight of 320.34 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N,3-triethyl-2-phenylpenta-2,4-dieneselenoamide is sourced from PubChem (CID 10844272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).