benzamido propanoate

C10H11NO3 — CID 18425256

IUPACbenzamido propanoate
SMILESCCC(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-2-9(12)14-11-10(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,13)
InChIKeyPJNHRDVRPBYAKW-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.28
Rot. Bonds2

About benzamido propanoate

benzamido propanoate (PubChem CID 18425256) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is benzamido propanoate.

Molecular Properties

Compound Namebenzamido propanoate
PubChem CID18425256
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namebenzamido propanoate
SMILESCCC(=O)ONC(=O)c1ccccc1
InChIInChI=1S/C10H11NO3/c1-2-9(12)14-11-10(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,13)
InChIKeyPJNHRDVRPBYAKW-UHFFFAOYSA-N
XLogP1.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzamide
CID 2331
Phthalamide
CID 6956
Benzohydroxamic acid
CID 10313
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704
Carboxycinnamic Acid Bishydroxamide
CID 5353484
2-Fluorobenzamide
CID 67964
Terephthalamide
CID 76381
m-Toluamide
CID 69253
N-hydroxy-N-methylbenzamide
CID 371715
N-hydroxy-4-methylbenzamide
CID 426839

Frequently Asked Questions

What is the IUPAC name of benzamido propanoate?
The IUPAC name of benzamido propanoate (CID 18425256) is benzamido propanoate.
What is the SMILES notation for benzamido propanoate?
The canonical SMILES for benzamido propanoate is CCC(=O)ONC(=O)c1ccccc1.
What is the InChIKey of benzamido propanoate?
The InChIKey is PJNHRDVRPBYAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-2-9(12)14-11-10(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,11,13).
What are the key properties of benzamido propanoate?
benzamido propanoate has a molecular weight of 193.20 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamido propanoate is sourced from PubChem (CID 18425256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).