[4-(diethylcarbamoyl)phenyl] acetate

C13H17NO3 — CID 683590

IUPAC[4-(diethylcarbamoyl)phenyl] acetate
SMILESCCN(CC)C(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-4-14(5-2)13(16)11-6-8-12(9-7-11)17-10(3)15/h6-9H,4-5H2,1-3H3
InChIKeyMJMONPIQLBQZFL-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.09
Rot. Bonds4

About [4-(diethylcarbamoyl)phenyl] acetate

[4-(diethylcarbamoyl)phenyl] acetate (PubChem CID 683590) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [4-(diethylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(diethylcarbamoyl)phenyl] acetate
PubChem CID683590
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[4-(diethylcarbamoyl)phenyl] acetate
SMILESCCN(CC)C(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-4-14(5-2)13(16)11-6-8-12(9-7-11)17-10(3)15/h6-9H,4-5H2,1-3H3
InChIKeyMJMONPIQLBQZFL-UHFFFAOYSA-N
XLogP2.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(diethylcarbamoyl)phenyl] benzoate
CID 139836095
[4-(dimethylcarbamoyl)phenyl] acetate
CID 3357388
N,N-diethyl-4-(2-methoxyethoxy)benzamide
CID 17353475
4-[bis(dimethylamino)phosphoryloxy]-N,N-diethylbenzamide
CID 14791031
N,N-diethyl-4-(2-methylpropoxy)benzamide
CID 60635917
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
(4-phenoxyphenyl) 2-[4-(diethylcarbamoyl)phenoxy]acetate
CID 18837712
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
4-[tert-butyl(dimethyl)silyl]oxy-N,N-diethylbenzamide
CID 58586309
4-(diethylamino)-N,N-diethylbenzamide
CID 17310828
N,N-diethyl-4-(methylsulfanylmethyl)benzamide
CID 60635900
N-ethyl-N-(2-hydroxyethyl)-4-methoxybenzamide
CID 39245676

Frequently Asked Questions

What is the IUPAC name of [4-(diethylcarbamoyl)phenyl] acetate?
The IUPAC name of [4-(diethylcarbamoyl)phenyl] acetate (CID 683590) is [4-(diethylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [4-(diethylcarbamoyl)phenyl] acetate?
The canonical SMILES for [4-(diethylcarbamoyl)phenyl] acetate is CCN(CC)C(=O)c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-(diethylcarbamoyl)phenyl] acetate?
The InChIKey is MJMONPIQLBQZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-14(5-2)13(16)11-6-8-12(9-7-11)17-10(3)15/h6-9H,4-5H2,1-3H3.
What are the key properties of [4-(diethylcarbamoyl)phenyl] acetate?
[4-(diethylcarbamoyl)phenyl] acetate has a molecular weight of 235.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 683590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).