N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine

C21H25NO — CID 89321168

IUPACN-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine
SMILESC=COCCN(CCC(=C)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H25NO/c1-3-23-17-16-22(18-20-10-6-4-7-11-20)15-14-19(2)21-12-8-5-9-13-21/h3-13H,1-2,14-18H2
InChIKeyYDKSTXPVIKEMGZ-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.75
Rot. Bonds10

About N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine

N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine (PubChem CID 89321168) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine.

Molecular Properties

Compound NameN-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine
PubChem CID89321168
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine
SMILESC=COCCN(CCC(=C)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H25NO/c1-3-23-17-16-22(18-20-10-6-4-7-11-20)15-14-19(2)21-12-8-5-9-13-21/h3-13H,1-2,14-18H2
InChIKeyYDKSTXPVIKEMGZ-UHFFFAOYSA-N
XLogP4.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine 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

(3S)-N-benzyl-3-bromo-N-(2-ethenoxyethyl)-3-(4-fluorophenyl)propan-1-amine
CID 89321215
2-(dibenzylamino)ethyl formate
CID 24829039
3-[benzyl-(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 135021147
2-(dibenzylamino)ethyl prop-2-enoate
CID 18943210
N-benzyl-3-methyl-N-prop-2-enylbut-3-en-1-amine
CID 144634917
N-(2-ethenoxyethyl)-N-methylbenzamide
CID 154204168
[(1S)-3-[benzyl(2-ethenoxyethyl)amino]-1-(3-fluorophenyl)propyl] methanesulfonate
CID 89321165
4-[benzyl(prop-2-enyl)amino]-2-methylidenebutanenitrile
CID 10799280
3-phenylbut-3-enoxysilane
CID 173347407
N-methyl-N-(3-phenylbut-3-enyl)aniline
CID 138977624
methane;N-methyl-N-(3-phenylbut-3-enyl)formamide
CID 143368877
N,N-dibenzyl-2-(4-fluorophenyl)prop-2-en-1-amine
CID 15536548

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine?
The IUPAC name of N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine (CID 89321168) is N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine.
What is the SMILES notation for N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine?
The canonical SMILES for N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine is C=COCCN(CCC(=C)c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine?
The InChIKey is YDKSTXPVIKEMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-23-17-16-22(18-20-10-6-4-7-11-20)15-14-19(2)21-12-8-5-9-13-21/h3-13H,1-2,14-18H2.
What are the key properties of N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine?
N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine has a molecular weight of 307.44 g/mol, XLogP of 4.75, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-ethenoxyethyl)-3-phenylbut-3-en-1-amine is sourced from PubChem (CID 89321168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).