4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide

C13H15NO3 — CID 59489527

IUPAC4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide
SMILESC=C(CCO)C(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C13H15NO3/c1-9(7-8-15)12(16)10-3-5-11(6-4-10)13(17)14-2/h3-6,15H,1,7-8H2,2H3,(H,14,17)
InChIKeyZHFIXTZJHDTXPA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.17
Rot. Bonds5

About 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide

4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide (PubChem CID 59489527) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide
PubChem CID59489527
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide
SMILESC=C(CCO)C(=O)c1ccc(C(=O)NC)cc1
InChIInChI=1S/C13H15NO3/c1-9(7-8-15)12(16)10-3-5-11(6-4-10)13(17)14-2/h3-6,15H,1,7-8H2,2H3,(H,14,17)
InChIKeyZHFIXTZJHDTXPA-UHFFFAOYSA-N
XLogP1.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide
CID 70360767
N-methyl-4-(phosphanylmethyl)benzamide
CID 143273405
N-methylbenzamide
CID 11954
2-hydroxyethyl N-[4-(methylcarbamoyl)phenyl]carbamate
CID 79345758
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
4-[[4-(hydroxymethyl)phenyl]methylsulfanylmethyl]-N-methylbenzamide
CID 110006835
sodium [4-(methylcarbamoyl)phenyl]methanesulfonate
CID 59940234
4-ethynyl-N-methylbenzamide
CID 14596430
4-hydrazinyl-N-methylbenzamide
CID 20649402
ethyl 4-(methylcarbamoyl)benzoate
CID 125143185
ethane;N-methyl-4-(2-oxopropyl)benzamide
CID 170580328
4-[1-(methylamino)ethenyl]-N-[[[4-[1-(methylamino)ethenyl]benzoyl]amino]methyl]benzamide
CID 59841901

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide?
The IUPAC name of 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide (CID 59489527) is 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide?
The canonical SMILES for 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide is C=C(CCO)C(=O)c1ccc(C(=O)NC)cc1.
What is the InChIKey of 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide?
The InChIKey is ZHFIXTZJHDTXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(7-8-15)12(16)10-3-5-11(6-4-10)13(17)14-2/h3-6,15H,1,7-8H2,2H3,(H,14,17).
What are the key properties of 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide?
4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide has a molecular weight of 233.27 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-methylidenebutanoyl)-N-methylbenzamide is sourced from PubChem (CID 59489527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).