propyl 2-acetamido-3-phenylpropanoate

C14H19NO3 — CID 3917469

IUPACpropyl 2-acetamido-3-phenylpropanoate
SMILESCCCOC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C14H19NO3/c1-3-9-18-14(17)13(15-11(2)16)10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyPVEWLODOQRARDD-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.69
Rot. Bonds6

About propyl 2-acetamido-3-phenylpropanoate

propyl 2-acetamido-3-phenylpropanoate (PubChem CID 3917469) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is propyl 2-acetamido-3-phenylpropanoate.

Molecular Properties

Compound Namepropyl 2-acetamido-3-phenylpropanoate
PubChem CID3917469
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namepropyl 2-acetamido-3-phenylpropanoate
SMILESCCCOC(=O)C(Cc1ccccc1)NC(C)=O
InChIInChI=1S/C14H19NO3/c1-3-9-18-14(17)13(15-11(2)16)10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,16)
InChIKeyPVEWLODOQRARDD-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-phenyl-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 11347207
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
nonyl 3-phenyl-2-(propoxycarbonylamino)propanoate
CID 6423362
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
(2-amino-2-sulfanylideneethyl) (2R)-2-acetamido-3-phenylpropanoate
CID 102030710
(2-amino-2-sulfanylideneethyl) (2S)-2-acetamido-3-phenylpropanoate
CID 25192392
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
[(2S)-butan-2-yl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680450
tert-butyl 2-acetamido-3-phenylpropanoate
CID 70959830
butyl (2R)-2-acetamido-3-(4-hydroxyphenyl)propanoate
CID 6426993
ethyl 2-acetamido-3-[4-[2-[4-(2-acetamido-3-ethoxy-3-oxopropyl)phenyl]ethyl]phenyl]propanoate
CID 101157552
2-acetamido-3-phenylpropanamide;ethane
CID 144643683

Frequently Asked Questions

What is the IUPAC name of propyl 2-acetamido-3-phenylpropanoate?
The IUPAC name of propyl 2-acetamido-3-phenylpropanoate (CID 3917469) is propyl 2-acetamido-3-phenylpropanoate.
What is the SMILES notation for propyl 2-acetamido-3-phenylpropanoate?
The canonical SMILES for propyl 2-acetamido-3-phenylpropanoate is CCCOC(=O)C(Cc1ccccc1)NC(C)=O.
What is the InChIKey of propyl 2-acetamido-3-phenylpropanoate?
The InChIKey is PVEWLODOQRARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-9-18-14(17)13(15-11(2)16)10-12-7-5-4-6-8-12/h4-8,13H,3,9-10H2,1-2H3,(H,15,16).
What are the key properties of propyl 2-acetamido-3-phenylpropanoate?
propyl 2-acetamido-3-phenylpropanoate has a molecular weight of 249.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-acetamido-3-phenylpropanoate is sourced from PubChem (CID 3917469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).