methyl 4-phenyl-2-(prop-2-enylamino)pentanoate

C15H21NO2 — CID 62353675

IUPACmethyl 4-phenyl-2-(prop-2-enylamino)pentanoate
SMILESC=CCNC(CC(C)c1ccccc1)C(=O)OC
InChIInChI=1S/C15H21NO2/c1-4-10-16-14(15(17)18-3)11-12(2)13-8-6-5-7-9-13/h4-9,12,14,16H,1,10-11H2,2-3H3
InChIKeyDGTRJZDYYDBGTG-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.50
Rot. Bonds7

About methyl 4-phenyl-2-(prop-2-enylamino)pentanoate

methyl 4-phenyl-2-(prop-2-enylamino)pentanoate (PubChem CID 62353675) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is methyl 4-phenyl-2-(prop-2-enylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-phenyl-2-(prop-2-enylamino)pentanoate
PubChem CID62353675
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namemethyl 4-phenyl-2-(prop-2-enylamino)pentanoate
SMILESC=CCNC(CC(C)c1ccccc1)C(=O)OC
InChIInChI=1S/C15H21NO2/c1-4-10-16-14(15(17)18-3)11-12(2)13-8-6-5-7-9-13/h4-9,12,14,16H,1,10-11H2,2-3H3
InChIKeyDGTRJZDYYDBGTG-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.50
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

methyl 2-phenyl-2-(prop-2-enylamino)acetate
CID 21300031
methyl 3-hydroxy-2-methyl-5-phenylhexanoate
CID 62394189
2-(3-phenylbutylamino)-N-prop-2-enylpropanamide
CID 62404774
3-methyl-5-phenylhexan-2-one
CID 22898138
methyl 4-methyl-2-[(3-methyl-2-phenylbutyl)amino]pentanoate
CID 107875948
ethyl 3-phenyl-2-(prop-2-enylamino)propanoate
CID 55063338
methyl 2-phenyl-2-prop-2-enoxyacetate
CID 13341026
methyl (2R)-2-phenyl-2-prop-2-enoxyacetate
CID 5324854
methyl 2-methyl-3-(2-phenylpropylamino)propanoate
CID 104591422
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
benzyl (2S)-2-(prop-2-enylamino)propanoate
CID 10922005
1,1'-biphenyl;N-methoxy-3-phenylbutanamide
CID 144913601

Frequently Asked Questions

What is the IUPAC name of methyl 4-phenyl-2-(prop-2-enylamino)pentanoate?
The IUPAC name of methyl 4-phenyl-2-(prop-2-enylamino)pentanoate (CID 62353675) is methyl 4-phenyl-2-(prop-2-enylamino)pentanoate.
What is the SMILES notation for methyl 4-phenyl-2-(prop-2-enylamino)pentanoate?
The canonical SMILES for methyl 4-phenyl-2-(prop-2-enylamino)pentanoate is C=CCNC(CC(C)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl 4-phenyl-2-(prop-2-enylamino)pentanoate?
The InChIKey is DGTRJZDYYDBGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-10-16-14(15(17)18-3)11-12(2)13-8-6-5-7-9-13/h4-9,12,14,16H,1,10-11H2,2-3H3.
What are the key properties of methyl 4-phenyl-2-(prop-2-enylamino)pentanoate?
methyl 4-phenyl-2-(prop-2-enylamino)pentanoate has a molecular weight of 247.34 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phenyl-2-(prop-2-enylamino)pentanoate is sourced from PubChem (CID 62353675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).