2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide

C17H25N3O — CID 104694105

IUPAC2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN(CCN)Cc1ccccc1
InChIInChI=1S/C17H25N3O/c1-3-11-20(12-4-2)17(21)15-19(13-10-18)14-16-8-6-5-7-9-16/h3-9H,1-2,10-15,18H2
InChIKeyCUOVFDNOTHUEIS-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.65
Rot. Bonds10

About 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide

2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 104694105) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide
PubChem CID104694105
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN(CCN)Cc1ccccc1
InChIInChI=1S/C17H25N3O/c1-3-11-20(12-4-2)17(21)15-19(13-10-18)14-16-8-6-5-7-9-16/h3-9H,1-2,10-15,18H2
InChIKeyCUOVFDNOTHUEIS-UHFFFAOYSA-N
XLogP1.65
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 106511560
N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
CID 10949354
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine
CID 106511612
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide
CID 55031850
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 101196840

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide (CID 104694105) is 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN(CCN)Cc1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is CUOVFDNOTHUEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-11-20(12-4-2)17(21)15-19(13-10-18)14-16-8-6-5-7-9-16/h3-9H,1-2,10-15,18H2.
What are the key properties of 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide?
2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 287.41 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 104694105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).