[3-(pentylcarbamoyl)phenyl] acetate

C14H19NO3 — CID 89122347

IUPAC[3-(pentylcarbamoyl)phenyl] acetate
SMILESCCCCCNC(=O)c1cccc(OC(C)=O)c1
InChIInChI=1S/C14H19NO3/c1-3-4-5-9-15-14(17)12-7-6-8-13(10-12)18-11(2)16/h6-8,10H,3-5,9H2,1-2H3,(H,15,17)
InChIKeyNDYVYKBCEVTWQU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.53
Rot. Bonds6

About [3-(pentylcarbamoyl)phenyl] acetate

[3-(pentylcarbamoyl)phenyl] acetate (PubChem CID 89122347) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [3-(pentylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[3-(pentylcarbamoyl)phenyl] acetate
PubChem CID89122347
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[3-(pentylcarbamoyl)phenyl] acetate
SMILESCCCCCNC(=O)c1cccc(OC(C)=O)c1
InChIInChI=1S/C14H19NO3/c1-3-4-5-9-15-14(17)12-7-6-8-13(10-12)18-11(2)16/h6-8,10H,3-5,9H2,1-2H3,(H,15,17)
InChIKeyNDYVYKBCEVTWQU-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-tridecylbenzamide
CID 139819898
[3-(3-oxobutylcarbamoyl)phenyl] acetate
CID 142810993
[3-[3-[(4-aminobenzoyl)amino]propylcarbamoyl]phenyl] acetate
CID 108929458
[4-(pentylcarbamoyl)phenyl] acetate
CID 3357255
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
[3-[3-[(2-hydroxybenzoyl)amino]propylcarbamoyl]phenyl] acetate
CID 108929360
[3-[2-[(3,4-dimethylbenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537513
[3-[2-(ethylsulfonylamino)ethylcarbamoyl]phenyl] acetate
CID 108570460
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
[3-[2-[(3,4,5-triethoxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108926915
3-(2-ethoxyethoxy)-N-hexadecylbenzamide
CID 17139521
[2-acetyloxy-4-(octylcarbamoyl)phenyl] acetate
CID 14096949

Frequently Asked Questions

What is the IUPAC name of [3-(pentylcarbamoyl)phenyl] acetate?
The IUPAC name of [3-(pentylcarbamoyl)phenyl] acetate (CID 89122347) is [3-(pentylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [3-(pentylcarbamoyl)phenyl] acetate?
The canonical SMILES for [3-(pentylcarbamoyl)phenyl] acetate is CCCCCNC(=O)c1cccc(OC(C)=O)c1.
What is the InChIKey of [3-(pentylcarbamoyl)phenyl] acetate?
The InChIKey is NDYVYKBCEVTWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-4-5-9-15-14(17)12-7-6-8-13(10-12)18-11(2)16/h6-8,10H,3-5,9H2,1-2H3,(H,15,17).
What are the key properties of [3-(pentylcarbamoyl)phenyl] acetate?
[3-(pentylcarbamoyl)phenyl] acetate has a molecular weight of 249.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pentylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 89122347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).