2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C17H27N3O — CID 106511560

IUPAC2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(CCN)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-4-20(12-15(2)3)17(21)14-19(11-10-18)13-16-8-6-5-7-9-16/h5-9H,2,4,10-14,18H2,1,3H3
InChIKeySVMLSWCVNKAFNZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.87
Rot. Bonds9

About 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 106511560) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID106511560
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN(CCN)Cc1ccccc1
InChIInChI=1S/C17H27N3O/c1-4-20(12-15(2)3)17(21)14-19(11-10-18)13-16-8-6-5-7-9-16/h5-9H,2,4,10-14,18H2,1,3H3
InChIKeySVMLSWCVNKAFNZ-UHFFFAOYSA-N
XLogP1.87
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide 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

2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104694105
2-[2-aminoethyl(2-phenylethyl)amino]-N,N-diethylacetamide;hydrochloride
CID 120871888
N-benzyl-2-(dipropylamino)-N-ethylacetamide
CID 108998990
N-benzyl-N-ethyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685771
N-ethyl-N-(2-methylprop-2-enyl)-2-phenylsulfanylacetamide
CID 78762330
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
CID 10949354
3-[2-aminoethyl(benzyl)amino]-2-methylpropanamide
CID 55031850
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
N',N'-dibenzylethane-1,2-diamine;hydrochloride
CID 6460674
3-[ethyl-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]amino]propanoic acid
CID 61009237

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 106511560) is 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CN(CCN)Cc1ccccc1.
What is the InChIKey of 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is SVMLSWCVNKAFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(12-15(2)3)17(21)14-19(11-10-18)13-16-8-6-5-7-9-16/h5-9H,2,4,10-14,18H2,1,3H3.
What are the key properties of 2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-[2-aminoethyl(benzyl)amino]-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 1.87, 9 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-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 106511560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).