4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide

C15H20N2O2 — CID 37012021

IUPAC4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O2/c1-5-17(10-11(2)3)15(19)13-6-8-14(9-7-13)16-12(4)18/h6-9H,2,5,10H2,1,3-4H3,(H,16,18)
InChIKeyJDAPFKCFPKQEHJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.68
Rot. Bonds5

About 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide

4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 37012021) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID37012021
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H20N2O2/c1-5-17(10-11(2)3)15(19)13-6-8-14(9-7-13)16-12(4)18/h6-9H,2,5,10H2,1,3-4H3,(H,16,18)
InChIKeyJDAPFKCFPKQEHJ-UHFFFAOYSA-N
XLogP2.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-acetamidophenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048426
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
4-(bromomethyl)-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 102850823
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
4-[[2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 54843896
4-acetamido-N,N-bis(2-hydroxyethyl)benzamide
CID 60653074
3-amino-4-bromo-N-ethyl-N-(2-methylprop-2-enyl)benzamide
CID 61117454
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168
N-[2-(4-acetamidoanilino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-ethylbenzamide
CID 25162408
N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 113347115
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide (CID 37012021) is 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(CC)C(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is JDAPFKCFPKQEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-5-17(10-11(2)3)15(19)13-6-8-14(9-7-13)16-12(4)18/h6-9H,2,5,10H2,1,3-4H3,(H,16,18).
What are the key properties of 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 260.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-ethyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 37012021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).