methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate

C14H19NO2 — CID 57471710

IUPACmethyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate
SMILESC=CCN(C)c1ccc(C(C)C(=O)OC)cc1
InChIInChI=1S/C14H19NO2/c1-5-10-15(3)13-8-6-12(7-9-13)11(2)14(16)17-4/h5-9,11H,1,10H2,2-4H3
InChIKeyLORYOSOUBXSESO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.59
Rot. Bonds5

About methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate

methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate (PubChem CID 57471710) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate
PubChem CID57471710
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate
SMILESC=CCN(C)c1ccc(C(C)C(=O)OC)cc1
InChIInChI=1S/C14H19NO2/c1-5-10-15(3)13-8-6-12(7-9-13)11(2)14(16)17-4/h5-9,11H,1,10H2,2-4H3
InChIKeyLORYOSOUBXSESO-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-aminophenyl)propanoate
CID 3016109
methyl 2-[4-(1-oxopropan-2-yl)phenyl]propanoate
CID 605628
methyl 2-(4-methoxy-3-prop-2-enylphenyl)propanoate
CID 58973658
methyl 2-[4-(iodomethyl)phenyl]propanoate
CID 142631167
4-[methyl(prop-2-enyl)amino]benzaldehyde
CID 71347762
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
methyl 2-[4-(1-cyano-2-methylpropyl)phenyl]propanoate
CID 134840373
methyl 2-(4-formamidophenyl)propanoate
CID 11356229
methyl 2-(4-propylphenyl)propanoate
CID 62801402
methyl 2-[4-(1-iodo-2-methylpropyl)phenyl]propanoate
CID 163571659
methyl 2-(N-methyl-4-propan-2-ylanilino)acetate
CID 115232732
methyl 2-[4-(2-methylpropoxy)phenyl]propanoate
CID 135079153

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate?
The IUPAC name of methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate (CID 57471710) is methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate.
What is the SMILES notation for methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate?
The canonical SMILES for methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate is C=CCN(C)c1ccc(C(C)C(=O)OC)cc1.
What is the InChIKey of methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate?
The InChIKey is LORYOSOUBXSESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-10-15(3)13-8-6-12(7-9-13)11(2)14(16)17-4/h5-9,11H,1,10H2,2-4H3.
What are the key properties of methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate?
methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate has a molecular weight of 233.31 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[methyl(prop-2-enyl)amino]phenyl]propanoate is sourced from PubChem (CID 57471710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).