[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate

C19H21NO3 — CID 164678564

IUPAC[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate
SMILESCOc1ccc(/C=C/COC(=O)CNc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-15-5-9-17(10-6-15)20-14-19(21)23-13-3-4-16-7-11-18(22-2)12-8-16/h3-12,20H,13-14H2,1-2H3/b4-3+
InChIKeyPBEIIBCZQALNRM-ONEGZZNKSA-N
MW311.38 g/mol
LogP3.67
Rot. Bonds7

About [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate

[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate (PubChem CID 164678564) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate.

Molecular Properties

Compound Name[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate
PubChem CID164678564
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate
SMILESCOc1ccc(/C=C/COC(=O)CNc2ccc(C)cc2)cc1
InChIInChI=1S/C19H21NO3/c1-15-5-9-17(10-6-15)20-14-19(21)23-13-3-4-16-7-11-18(22-2)12-8-16/h3-12,20H,13-14H2,1-2H3/b4-3+
InChIKeyPBEIIBCZQALNRM-ONEGZZNKSA-N
XLogP3.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate
CID 164678558
ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate
CID 134116743
ethyl 2-[4-[(2-methylpropan-2-yl)oxy]anilino]acetate
CID 170102656
2-[3-(4-methoxyphenyl)prop-2-enoxyamino]prop-2-enoic acid
CID 57005653
methyl (E)-12-(4-methylphenyl)dodec-11-enoate
CID 169218729
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2,2-diphenylacetate
CID 101380473
ethyl 2-(4-hydroxyanilino)acetate;hydrochloride
CID 68734163
dimethyl 2-[(Z)-3-(4-methoxyphenyl)prop-2-enyl]propanedioate
CID 102494225
pentyl 2-(4-methylanilino)acetate
CID 61303910
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
N-[(E)-3-(4-methoxyphenyl)prop-2-enyl]acetamide
CID 129353993
ethane;[(E)-3-[4-(methylamino)phenyl]prop-2-enyl] acetate
CID 143755056

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate?
The IUPAC name of [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate (CID 164678564) is [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate.
What is the SMILES notation for [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate?
The canonical SMILES for [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate is COc1ccc(/C=C/COC(=O)CNc2ccc(C)cc2)cc1.
What is the InChIKey of [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate?
The InChIKey is PBEIIBCZQALNRM-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H21NO3/c1-15-5-9-17(10-6-15)20-14-19(21)23-13-3-4-16-7-11-18(22-2)12-8-16/h3-12,20H,13-14H2,1-2H3/b4-3+.
What are the key properties of [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate?
[(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate has a molecular weight of 311.38 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-methoxyphenyl)prop-2-enyl] 2-(4-methylanilino)acetate is sourced from PubChem (CID 164678564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).