propyl 2-benzamidopropanoate

C13H17NO3 — CID 71628004

IUPACpropyl 2-benzamidopropanoate
SMILESCCCOC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-9-17-13(16)10(2)14-12(15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyNDQXQTQQDSGQRM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.76
Rot. Bonds5

About propyl 2-benzamidopropanoate

propyl 2-benzamidopropanoate (PubChem CID 71628004) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is propyl 2-benzamidopropanoate.

Molecular Properties

Compound Namepropyl 2-benzamidopropanoate
PubChem CID71628004
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namepropyl 2-benzamidopropanoate
SMILESCCCOC(=O)C(C)NC(=O)c1ccccc1
InChIInChI=1S/C13H17NO3/c1-3-9-17-13(16)10(2)14-12(15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15)
InChIKeyNDQXQTQQDSGQRM-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl (2S)-2-benzamidopropanoate
CID 14654754
butyl 2-benzamidopropanoate
CID 14654753
propyl 2-[(3-fluorobenzoyl)amino]propanoate
CID 6422568
propyl (2S)-2-[(3-fluorobenzoyl)amino]propanoate
CID 20836849
methyl (2S)-2-benzamidopropanoate
CID 6364617
prop-2-enyl 2-benzamidopropanoate
CID 2910482
propyl 4-(2-benzamidopropanoylamino)benzoate
CID 55339167
2-(4-chlorophenoxy)ethyl (2S)-2-benzamidopropanoate
CID 7571927
ethyl 2-(2-benzoylhydrazinyl)propanoate
CID 19432092
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 2593799
butyl (2S,3R)-2-benzamido-3-hydroxybutanoate
CID 101068173
propyl (2S)-2-benzamido-4-methylsulfanylbutanoate
CID 67365199

Frequently Asked Questions

What is the IUPAC name of propyl 2-benzamidopropanoate?
The IUPAC name of propyl 2-benzamidopropanoate (CID 71628004) is propyl 2-benzamidopropanoate.
What is the SMILES notation for propyl 2-benzamidopropanoate?
The canonical SMILES for propyl 2-benzamidopropanoate is CCCOC(=O)C(C)NC(=O)c1ccccc1.
What is the InChIKey of propyl 2-benzamidopropanoate?
The InChIKey is NDQXQTQQDSGQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-3-9-17-13(16)10(2)14-12(15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3,(H,14,15).
What are the key properties of propyl 2-benzamidopropanoate?
propyl 2-benzamidopropanoate has a molecular weight of 235.28 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-benzamidopropanoate is sourced from PubChem (CID 71628004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).