N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide

C13H16N2O4 — CID 57222186

IUPACN-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide
SMILESCCN(C(C)=O)C(=O)NC(C=O)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O4/c1-3-15(9(2)17)13(19)14-12(8-16)10-4-6-11(18)7-5-10/h4-8,12,18H,3H2,1-2H3,(H,14,19)
InChIKeyFKQJUUWWBBOIIZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.21
Rot. Bonds4

About N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide

N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide (PubChem CID 57222186) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide
PubChem CID57222186
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC NameN-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide
SMILESCCN(C(C)=O)C(=O)NC(C=O)c1ccc(O)cc1
InChIInChI=1S/C13H16N2O4/c1-3-15(9(2)17)13(19)14-12(8-16)10-4-6-11(18)7-5-10/h4-8,12,18H,3H2,1-2H3,(H,14,19)
InChIKeyFKQJUUWWBBOIIZ-UHFFFAOYSA-N
XLogP1.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-hydroxyphenyl)-2-(propan-2-ylamino)acetaldehyde;hydrochloride
CID 87998097
4-hydroxy-N-(2-oxo-1-phenylethyl)benzamide
CID 19816469
1-[2-(dimethylamino)ethyl]-1-ethyl-3-[(1S)-1-(4-hydroxyphenyl)ethyl]urea
CID 125443345
2-(benzylamino)-2-(4-hydroxyphenyl)acetaldehyde;hydrochloride
CID 87998810
N-[1-(4-nitrophenyl)-2-oxoethyl]acetamide
CID 174881625
acetic acid;4-hydroxybenzaldehyde
CID 86610069
methyl 2-(4-hydroxyphenyl)-2-(propanoylamino)acetate
CID 10125222
N-[(E)-4-acetamido-1-(3-chlorophenyl)-4-(4-hydroxyphenyl)but-2-enyl]-2-chloroacetamide
CID 154725028
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
benzene-1,4-diol;pentane-2,4-dione
CID 66906799
N-ethyl-N-[(4-hydroxyphenyl)methyl]acetamide
CID 20594014
2-formamido-2-(4-hydroxyphenyl)acetic acid
CID 10171318

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide?
The IUPAC name of N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide (CID 57222186) is N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide.
What is the SMILES notation for N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide?
The canonical SMILES for N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide is CCN(C(C)=O)C(=O)NC(C=O)c1ccc(O)cc1.
What is the InChIKey of N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide?
The InChIKey is FKQJUUWWBBOIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-3-15(9(2)17)13(19)14-12(8-16)10-4-6-11(18)7-5-10/h4-8,12,18H,3H2,1-2H3,(H,14,19).
What are the key properties of N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide?
N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide has a molecular weight of 264.28 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-(4-hydroxyphenyl)-2-oxoethyl]carbamoyl]acetamide is sourced from PubChem (CID 57222186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).