N-(2-benzylprop-2-enyl)-N-methylacetamide

C13H17NO — CID 91265277

IUPACN-(2-benzylprop-2-enyl)-N-methylacetamide
SMILESC=C(Cc1ccccc1)CN(C)C(C)=O
InChIInChI=1S/C13H17NO/c1-11(10-14(3)12(2)15)9-13-7-5-4-6-8-13/h4-8H,1,9-10H2,2-3H3
InChIKeyINQIAVQUNUCEEB-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.26
Rot. Bonds4

About N-(2-benzylprop-2-enyl)-N-methylacetamide

N-(2-benzylprop-2-enyl)-N-methylacetamide (PubChem CID 91265277) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is N-(2-benzylprop-2-enyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-benzylprop-2-enyl)-N-methylacetamide
PubChem CID91265277
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC NameN-(2-benzylprop-2-enyl)-N-methylacetamide
SMILESC=C(Cc1ccccc1)CN(C)C(C)=O
InChIInChI=1S/C13H17NO/c1-11(10-14(3)12(2)15)9-13-7-5-4-6-8-13/h4-8H,1,9-10H2,2-3H3
InChIKeyINQIAVQUNUCEEB-UHFFFAOYSA-N
XLogP2.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-benzylprop-2-enyl)-N-methylacetamide 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

N-[2-[(3-chlorophenyl)methyl]prop-2-enyl]-N-methylacetamide
CID 91452440
N-methyl-N-phenacylacetamide
CID 15482185
2-benzyl-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 118152238
2-benzyl-N,N-dimethylprop-2-enamide
CID 67100318
N'-acetyl-N,N'-dimethyl-2-phenylacetohydrazide
CID 15121331
5-benzyl-3-methylhex-5-en-2-one
CID 59397011
2-methylidenebutylbenzene
CID 10964655
benzene;1-phenylpropan-2-one
CID 21430852
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
CID 70519358
N-(2-benzylprop-2-enyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 154709075
sodium;2-benzylprop-2-enoic acid;hydride
CID 174441336
N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylprop-2-enyl)-N-methylacetamide?
The IUPAC name of N-(2-benzylprop-2-enyl)-N-methylacetamide (CID 91265277) is N-(2-benzylprop-2-enyl)-N-methylacetamide.
What is the SMILES notation for N-(2-benzylprop-2-enyl)-N-methylacetamide?
The canonical SMILES for N-(2-benzylprop-2-enyl)-N-methylacetamide is C=C(Cc1ccccc1)CN(C)C(C)=O.
What is the InChIKey of N-(2-benzylprop-2-enyl)-N-methylacetamide?
The InChIKey is INQIAVQUNUCEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11(10-14(3)12(2)15)9-13-7-5-4-6-8-13/h4-8H,1,9-10H2,2-3H3.
What are the key properties of N-(2-benzylprop-2-enyl)-N-methylacetamide?
N-(2-benzylprop-2-enyl)-N-methylacetamide has a molecular weight of 203.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylprop-2-enyl)-N-methylacetamide is sourced from PubChem (CID 91265277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).