N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide

C16H19NO — CID 170006039

IUPACN-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide
SMILESC=C/C(=C\C=C/C)CN(C=O)Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-3-5-9-15(4-2)12-17(14-18)13-16-10-7-6-8-11-16/h3-11,14H,2,12-13H2,1H3/b5-3-,15-9+
InChIKeyZRDMCZZBSGZBRT-WURXWAMFSA-N
MW241.33 g/mol
LogP3.33
Rot. Bonds7

About N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide

N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide (PubChem CID 170006039) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide.

Molecular Properties

Compound NameN-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide
PubChem CID170006039
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide
SMILESC=C/C(=C\C=C/C)CN(C=O)Cc1ccccc1
InChIInChI=1S/C16H19NO/c1-3-5-9-15(4-2)12-17(14-18)13-16-10-7-6-8-11-16/h3-11,14H,2,12-13H2,1H3/b5-3-,15-9+
InChIKeyZRDMCZZBSGZBRT-WURXWAMFSA-N
XLogP3.33
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide 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

benzyl [(2E,4Z)-2-ethenylhexa-2,4-dienyl] hydrogen phosphate
CID 167158784
ethane;[(2Z)-2-ethenylpenta-2,4-dienyl]benzene;(2Z,4Z)-hexa-2,4-diene
CID 145283971
N,N-dibenzylformamide;N,N-diethylformamide;methane
CID 160532713
N-benzyl-N-[8-(dimethylamino)octyl]formamide
CID 173398538
N-benzyl-N-(cyclopropylmethyl)formamide
CID 174364341
(2E,4E)-2-ethenyl-N-(1-phenylethyl)hexa-2,4-dien-1-amine
CID 21102554
N-benzyl-N-(2-ethenyl-3-methylpentyl)formamide
CID 11288047
methyl 2-[benzyl(prop-1-enyl)amino]acetate
CID 141322891
(E)-4-[benzyl(prop-2-enyl)amino]but-3-en-2-one
CID 135043163
N-benzyl-N-[2-[3-(dibenzylamino)propylamino]ethyl]formamide
CID 143178304
(3Z,5Z)-3-ethenyl-N-(2-phenylethyl)hepta-3,5-dien-1-amine;N-hydroxy-5-methylfuran-2-carboxamide
CID 143040079
N,N-dimethyl-1-phenylmethanamine;prop-2-enamide
CID 174647778

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide?
The IUPAC name of N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide (CID 170006039) is N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide.
What is the SMILES notation for N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide?
The canonical SMILES for N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide is C=C/C(=C\C=C/C)CN(C=O)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide?
The InChIKey is ZRDMCZZBSGZBRT-WURXWAMFSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-5-9-15(4-2)12-17(14-18)13-16-10-7-6-8-11-16/h3-11,14H,2,12-13H2,1H3/b5-3-,15-9+.
What are the key properties of N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide?
N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide has a molecular weight of 241.33 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]formamide is sourced from PubChem (CID 170006039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).