[4-(dimethylcarbamoyl)phenyl] acetate

C11H13NO3 — CID 3357388

IUPAC[4-(dimethylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)15-10-6-4-9(5-7-10)11(14)12(2)3/h4-7H,1-3H3
InChIKeyHTPZUNNFOJZKRY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.31
Rot. Bonds2

About [4-(dimethylcarbamoyl)phenyl] acetate

[4-(dimethylcarbamoyl)phenyl] acetate (PubChem CID 3357388) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is [4-(dimethylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(dimethylcarbamoyl)phenyl] acetate
PubChem CID3357388
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name[4-(dimethylcarbamoyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N(C)C)cc1
InChIInChI=1S/C11H13NO3/c1-8(13)15-10-6-4-9(5-7-10)11(14)12(2)3/h4-7H,1-3H3
InChIKeyHTPZUNNFOJZKRY-UHFFFAOYSA-N
XLogP1.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.31
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] acetate
CID 683590
(4-carbonochloridoylphenyl) acetate
CID 2756254
[4-(dimethylamino)phenyl] acetate
CID 586356
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
[4-[4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 6767
[4-[(2Z,4E)-4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 24884313
[4-(4-acetylphenoxy)phenyl] acetate
CID 86194882
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
[4-[(dimethylamino)methyl]phenyl] acetate
CID 102268693
N,N-dimethyl-4-(2-phenoxyethoxy)benzamide
CID 28639806
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
(4-chlorophenyl) acetate
CID 13410

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylcarbamoyl)phenyl] acetate?
The IUPAC name of [4-(dimethylcarbamoyl)phenyl] acetate (CID 3357388) is [4-(dimethylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [4-(dimethylcarbamoyl)phenyl] acetate?
The canonical SMILES for [4-(dimethylcarbamoyl)phenyl] acetate is CC(=O)Oc1ccc(C(=O)N(C)C)cc1.
What is the InChIKey of [4-(dimethylcarbamoyl)phenyl] acetate?
The InChIKey is HTPZUNNFOJZKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)15-10-6-4-9(5-7-10)11(14)12(2)3/h4-7H,1-3H3.
What are the key properties of [4-(dimethylcarbamoyl)phenyl] acetate?
[4-(dimethylcarbamoyl)phenyl] acetate has a molecular weight of 207.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 3357388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).