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

C16H22N2O — CID 54808897

IUPAC2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C16H22N2O/c1-4-11-18(12-5-2)16(19)14-17(3)13-15-9-7-6-8-10-15/h4-10H,1-2,11-14H2,3H3
InChIKeyWDJTUPBWWWLHST-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.32
Rot. Bonds8

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

2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 54808897) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
PubChem CID54808897
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C16H22N2O/c1-4-11-18(12-5-2)16(19)14-17(3)13-15-9-7-6-8-10-15/h4-10H,1-2,11-14H2,3H3
InChIKeyWDJTUPBWWWLHST-UHFFFAOYSA-N
XLogP2.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-aminoethyl(benzyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104694105
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
tert-butyl N-[2-(dibenzylamino)-2-oxoethyl]-N-prop-2-enylcarbamate
CID 101196840
2-[benzyl(methyl)amino]acetyl chloride
CID 39254606
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
4-[[[2-(dibenzylamino)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 9003318
N-benzyl-2-[dimethylcarbamoyl(prop-2-enyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3548187
N-benzyl-2,2-dichloro-N-prop-2-enylacetamide
CID 10083827
N-benzyl-2-fluoro-N-prop-2-enylprop-2-enamide
CID 71369406
N-benzyl-3-hydroxy-N-prop-2-enylpent-4-enamide
CID 134893638
[4-[4-[[methyl(prop-2-enyl)amino]methyl]phenyl]phenyl]-phenylmethanone
CID 67785165

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide (CID 54808897) is 2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is WDJTUPBWWWLHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-4-11-18(12-5-2)16(19)14-17(3)13-15-9-7-6-8-10-15/h4-10H,1-2,11-14H2,3H3.
What are the key properties of 2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide?
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 258.37 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 54808897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).