[4-(pentylcarbamoyl)phenyl] acetate

C14H19NO3 — CID 3357255

IUPAC[4-(pentylcarbamoyl)phenyl] acetate
SMILESCCCCCNC(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C14H19NO3/c1-3-4-5-10-15-14(17)12-6-8-13(9-7-12)18-11(2)16/h6-9H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyUFINLILMKKNJDU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.53
Rot. Bonds6

About [4-(pentylcarbamoyl)phenyl] acetate

[4-(pentylcarbamoyl)phenyl] acetate (PubChem CID 3357255) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [4-(pentylcarbamoyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(pentylcarbamoyl)phenyl] acetate
PubChem CID3357255
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[4-(pentylcarbamoyl)phenyl] acetate
SMILESCCCCCNC(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C14H19NO3/c1-3-4-5-10-15-14(17)12-6-8-13(9-7-12)18-11(2)16/h6-9H,3-5,10H2,1-2H3,(H,15,17)
InChIKeyUFINLILMKKNJDU-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

N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
4-methoxy-N-pentylbenzamide
CID 3113360
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
4-butoxy-N-hexadecylbenzamide
CID 4936106
3-[(4-acetyloxybenzoyl)amino]propyl-diethylazanium
CID 7276859
[3-(pentylcarbamoyl)phenyl] acetate
CID 89122347
N-decyl-4-ethoxybenzamide
CID 4123784
[2-acetyloxy-4-(octylcarbamoyl)phenyl] acetate
CID 14096949
N-heptyl-4-propan-2-yloxybenzamide
CID 4951873
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172

Frequently Asked Questions

What is the IUPAC name of [4-(pentylcarbamoyl)phenyl] acetate?
The IUPAC name of [4-(pentylcarbamoyl)phenyl] acetate (CID 3357255) is [4-(pentylcarbamoyl)phenyl] acetate.
What is the SMILES notation for [4-(pentylcarbamoyl)phenyl] acetate?
The canonical SMILES for [4-(pentylcarbamoyl)phenyl] acetate is CCCCCNC(=O)c1ccc(OC(C)=O)cc1.
What is the InChIKey of [4-(pentylcarbamoyl)phenyl] acetate?
The InChIKey is UFINLILMKKNJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-4-5-10-15-14(17)12-6-8-13(9-7-12)18-11(2)16/h6-9H,3-5,10H2,1-2H3,(H,15,17).
What are the key properties of [4-(pentylcarbamoyl)phenyl] acetate?
[4-(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 [4-(pentylcarbamoyl)phenyl] acetate is sourced from PubChem (CID 3357255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).