N-benzyl-N-methylprop-2-enamide

C11H13NO — CID 11332776

IUPACN-benzyl-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-3-11(13)12(2)9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeySXMHECGYSOUMFN-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.83
Rot. Bonds3

About N-benzyl-N-methylprop-2-enamide

N-benzyl-N-methylprop-2-enamide (PubChem CID 11332776) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is N-benzyl-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-benzyl-N-methylprop-2-enamide
PubChem CID11332776
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC NameN-benzyl-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H13NO/c1-3-11(13)12(2)9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3
InChIKeySXMHECGYSOUMFN-UHFFFAOYSA-N
XLogP1.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylprop-2-enamide?
The IUPAC name of N-benzyl-N-methylprop-2-enamide (CID 11332776) is N-benzyl-N-methylprop-2-enamide.
What is the SMILES notation for N-benzyl-N-methylprop-2-enamide?
The canonical SMILES for N-benzyl-N-methylprop-2-enamide is C=CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylprop-2-enamide?
The InChIKey is SXMHECGYSOUMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-11(13)12(2)9-10-7-5-4-6-8-10/h3-8H,1,9H2,2H3.
What are the key properties of N-benzyl-N-methylprop-2-enamide?
N-benzyl-N-methylprop-2-enamide has a molecular weight of 175.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylprop-2-enamide is sourced from PubChem (CID 11332776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).