[3-(propanoylamino)phenyl] 3-methylbenzoate

C17H17NO3 — CID 17073233

IUPAC[3-(propanoylamino)phenyl] 3-methylbenzoate
SMILESCCC(=O)Nc1cccc(OC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H17NO3/c1-3-16(19)18-14-8-5-9-15(11-14)21-17(20)13-7-4-6-12(2)10-13/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyVBYCTURHNKTJTN-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.56
Rot. Bonds4

About [3-(propanoylamino)phenyl] 3-methylbenzoate

[3-(propanoylamino)phenyl] 3-methylbenzoate (PubChem CID 17073233) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [3-(propanoylamino)phenyl] 3-methylbenzoate.

Molecular Properties

Compound Name[3-(propanoylamino)phenyl] 3-methylbenzoate
PubChem CID17073233
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[3-(propanoylamino)phenyl] 3-methylbenzoate
SMILESCCC(=O)Nc1cccc(OC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C17H17NO3/c1-3-16(19)18-14-8-5-9-15(11-14)21-17(20)13-7-4-6-12(2)10-13/h4-11H,3H2,1-2H3,(H,18,19)
InChIKeyVBYCTURHNKTJTN-UHFFFAOYSA-N
XLogP3.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
[3-(propanoylamino)phenyl] N-phenylcarbamate
CID 57133762
(3-acetamidophenyl) 3-ethoxybenzoate
CID 780025
[3-[[3-(3-methylbenzoyl)oxyphenyl]methyl]phenyl] 3-methylbenzoate
CID 54351534
(3,5-dimethylphenyl) 2-[3-(propanoylamino)phenoxy]acetate
CID 18870324
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-(3-acetylphenyl)propanamide
CID 903063
(3-acetamidophenyl) 4-[(3-methylphenoxy)methyl]benzoate
CID 3985890
2-oxopropyl 3-(propanoylamino)benzoate
CID 954186
(3-acetamidophenyl) 3-fluorobenzoate
CID 8007869
(4-methylphenyl) 3-acetamidobenzoate
CID 47098191
(3-methylphenyl) N-(3-ethoxyphenyl)carbamate
CID 56690131

Frequently Asked Questions

What is the IUPAC name of [3-(propanoylamino)phenyl] 3-methylbenzoate?
The IUPAC name of [3-(propanoylamino)phenyl] 3-methylbenzoate (CID 17073233) is [3-(propanoylamino)phenyl] 3-methylbenzoate.
What is the SMILES notation for [3-(propanoylamino)phenyl] 3-methylbenzoate?
The canonical SMILES for [3-(propanoylamino)phenyl] 3-methylbenzoate is CCC(=O)Nc1cccc(OC(=O)c2cccc(C)c2)c1.
What is the InChIKey of [3-(propanoylamino)phenyl] 3-methylbenzoate?
The InChIKey is VBYCTURHNKTJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-16(19)18-14-8-5-9-15(11-14)21-17(20)13-7-4-6-12(2)10-13/h4-11H,3H2,1-2H3,(H,18,19).
What are the key properties of [3-(propanoylamino)phenyl] 3-methylbenzoate?
[3-(propanoylamino)phenyl] 3-methylbenzoate has a molecular weight of 283.33 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(propanoylamino)phenyl] 3-methylbenzoate is sourced from PubChem (CID 17073233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).