2-[benzyl(methyl)amino]-N-prop-2-enylacetamide

C13H18N2O — CID 51072751

IUPAC2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-9-14-13(16)11-15(2)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,14,16)
InChIKeyUIUIEHFSWCWFRZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.42
Rot. Bonds6

About 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide

2-[benzyl(methyl)amino]-N-prop-2-enylacetamide (PubChem CID 51072751) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
PubChem CID51072751
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C)Cc1ccccc1
InChIInChI=1S/C13H18N2O/c1-3-9-14-13(16)11-15(2)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,14,16)
InChIKeyUIUIEHFSWCWFRZ-UHFFFAOYSA-N
XLogP1.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide 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

methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[benzyl(methyl)amino]-N-(3-phenylpropyl)acetamide
CID 78787240
N'-benzyl-N'-methyl-N-prop-2-enyloxamide
CID 108518780
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-N-prop-2-enylacetamide
CID 60589490
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
N-benzyl-N-methylbut-3-en-1-amine
CID 10702410
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
4-[[2-[benzyl(methyl)amino]acetyl]amino]-N,N-dimethylbenzamide
CID 8900899
2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-N-(prop-2-enylcarbamoyl)acetamide
CID 27242913
methyl N-[2-[benzyl(methyl)amino]acetyl]carbamate
CID 8900979
2-[benzyl(methyl)amino]-N-[(1-hydroxycycloheptyl)methyl]acetamide
CID 111428717

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide (CID 51072751) is 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide?
The InChIKey is UIUIEHFSWCWFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-9-14-13(16)11-15(2)10-12-7-5-4-6-8-12/h3-8H,1,9-11H2,2H3,(H,14,16).
What are the key properties of 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide?
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide has a molecular weight of 218.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 51072751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).