prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate

C17H23NO3 — CID 67861490

IUPACprop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
SMILESC=CCOC(=O)C(Cc1ccccc1)NC(=O)CCCC
InChIInChI=1S/C17H23NO3/c1-3-5-11-16(19)18-15(17(20)21-12-4-2)13-14-9-7-6-8-10-14/h4,6-10,15H,2-3,5,11-13H2,1H3,(H,18,19)
InChIKeyFFQSWOGFUPTTPQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.63
Rot. Bonds9

About prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate

prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate (PubChem CID 67861490) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
PubChem CID67861490
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Nameprop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
SMILESC=CCOC(=O)C(Cc1ccccc1)NC(=O)CCCC
InChIInChI=1S/C17H23NO3/c1-3-5-11-16(19)18-15(17(20)21-12-4-2)13-14-9-7-6-8-10-14/h4,6-10,15H,2-3,5,11-13H2,1H3,(H,18,19)
InChIKeyFFQSWOGFUPTTPQ-UHFFFAOYSA-N
XLogP2.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-[(2-bromoacetyl)amino]-3-phenylpropanoate
CID 67861477
prop-2-enyl 2-acetamido-3-phenylpropanoate
CID 67861806
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
octyl 3-phenyl-2-(prop-2-enoxycarbonylamino)propanoate
CID 6423297
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
[(2S)-1-oxo-3-phenyl-1-prop-2-enoxypropan-2-yl]carbamodithioic acid
CID 10755288
benzyl (2S)-2-(decanoylamino)-3-(4-hydroxyphenyl)propanoate
CID 6709913
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide
CID 159234420
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate?
The IUPAC name of prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate (CID 67861490) is prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate.
What is the SMILES notation for prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate?
The canonical SMILES for prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate is C=CCOC(=O)C(Cc1ccccc1)NC(=O)CCCC.
What is the InChIKey of prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate?
The InChIKey is FFQSWOGFUPTTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-3-5-11-16(19)18-15(17(20)21-12-4-2)13-14-9-7-6-8-10-14/h4,6-10,15H,2-3,5,11-13H2,1H3,(H,18,19).
What are the key properties of prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate?
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate has a molecular weight of 289.38 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate is sourced from PubChem (CID 67861490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).