N-benzyl-N-methylprop-2-ynamide

C11H11NO — CID 87311570

IUPACN-benzyl-N-methylprop-2-ynamide
SMILESC#CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H11NO/c1-3-11(13)12(2)9-10-7-5-4-6-8-10/h1,4-8H,9H2,2H3
InChIKeyVQOBAVGJYNWTOM-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.28
Rot. Bonds2

About N-benzyl-N-methylprop-2-ynamide

N-benzyl-N-methylprop-2-ynamide (PubChem CID 87311570) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is N-benzyl-N-methylprop-2-ynamide.

Molecular Properties

Compound NameN-benzyl-N-methylprop-2-ynamide
PubChem CID87311570
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC NameN-benzyl-N-methylprop-2-ynamide
SMILESC#CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C11H11NO/c1-3-11(13)12(2)9-10-7-5-4-6-8-10/h1,4-8H,9H2,2H3
InChIKeyVQOBAVGJYNWTOM-UHFFFAOYSA-N
XLogP1.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
carbonic acid;N,N-dimethyl-1-phenylmethanamine
CID 69138278
N-benzyl-N-methyl-2-oxo-2-phenylacetamide
CID 15890511
3-amino-1-benzyl-1-methylurea
CID 43163959
fluoro N-benzyl-N-methylcarbamate
CID 144758254
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
N-benzyl-N-methyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 2112597
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
CID 70519358
1-benzyl-3-(4-chlorophenyl)-1,3-dimethylurea
CID 102087600

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylprop-2-ynamide?
The IUPAC name of N-benzyl-N-methylprop-2-ynamide (CID 87311570) is N-benzyl-N-methylprop-2-ynamide.
What is the SMILES notation for N-benzyl-N-methylprop-2-ynamide?
The canonical SMILES for N-benzyl-N-methylprop-2-ynamide is C#CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylprop-2-ynamide?
The InChIKey is VQOBAVGJYNWTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-11(13)12(2)9-10-7-5-4-6-8-10/h1,4-8H,9H2,2H3.
What are the key properties of N-benzyl-N-methylprop-2-ynamide?
N-benzyl-N-methylprop-2-ynamide has a molecular weight of 173.21 g/mol, XLogP of 1.28, 2 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-ynamide is sourced from PubChem (CID 87311570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).