2-benzyl-N,N-dimethylprop-2-enamide

C12H15NO — CID 67100318

IUPAC2-benzyl-N,N-dimethylprop-2-enamide
SMILESC=C(Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H15NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyGCUORMCOHRCWHD-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.87
Rot. Bonds3

About 2-benzyl-N,N-dimethylprop-2-enamide

2-benzyl-N,N-dimethylprop-2-enamide (PubChem CID 67100318) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-benzyl-N,N-dimethylprop-2-enamide.

Molecular Properties

Compound Name2-benzyl-N,N-dimethylprop-2-enamide
PubChem CID67100318
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-benzyl-N,N-dimethylprop-2-enamide
SMILESC=C(Cc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H15NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3
InChIKeyGCUORMCOHRCWHD-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-phenyl-2-sulfinylpropanamide
CID 88538273
sodium;2-benzylprop-2-enoic acid;hydride
CID 174441336
methyl 2-benzylprop-2-enoate
CID 575761
2-phenylacetic acid;dihydrate
CID 168967514
4-methoxy-1-phenylpent-4-en-2-one
CID 143549548
N-(2-benzylprop-2-enyl)-N-methylacetamide
CID 91265277
formaldehyde;2-phenylacetic acid
CID 70638018
benzene;1-phenylpropan-2-one
CID 21430852
2-benzylprop-2-enoic acid;(2R)-2-methyl-3-phenylpropanoic acid
CID 157160595
iron;tris(1-phenylbutane-2,3-dione)
CID 175715842
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-(2-benzylprop-2-enoyloxy)-2-hydroxypropanoic acid
CID 90238430

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N,N-dimethylprop-2-enamide?
The IUPAC name of 2-benzyl-N,N-dimethylprop-2-enamide (CID 67100318) is 2-benzyl-N,N-dimethylprop-2-enamide.
What is the SMILES notation for 2-benzyl-N,N-dimethylprop-2-enamide?
The canonical SMILES for 2-benzyl-N,N-dimethylprop-2-enamide is C=C(Cc1ccccc1)C(=O)N(C)C.
What is the InChIKey of 2-benzyl-N,N-dimethylprop-2-enamide?
The InChIKey is GCUORMCOHRCWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-10(12(14)13(2)3)9-11-7-5-4-6-8-11/h4-8H,1,9H2,2-3H3.
What are the key properties of 2-benzyl-N,N-dimethylprop-2-enamide?
2-benzyl-N,N-dimethylprop-2-enamide has a molecular weight of 189.26 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N,N-dimethylprop-2-enamide is sourced from PubChem (CID 67100318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).