methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate

C19H21NO2 — CID 11323897

IUPACmethyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate
SMILESCNC(/C(C)=C/c1ccccc1)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H21NO2/c1-14(13-15-7-5-4-6-8-15)18(20-2)16-9-11-17(12-10-16)19(21)22-3/h4-13,18,20H,1-3H3/b14-13+
InChIKeyCTNSVCQIMUJYQA-BUHFOSPRSA-N
MW295.38 g/mol
LogP3.84
Rot. Bonds5

About methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate

methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate (PubChem CID 11323897) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate
PubChem CID11323897
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namemethyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate
SMILESCNC(/C(C)=C/c1ccccc1)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H21NO2/c1-14(13-15-7-5-4-6-8-15)18(20-2)16-9-11-17(12-10-16)19(21)22-3/h4-13,18,20H,1-3H3/b14-13+
InChIKeyCTNSVCQIMUJYQA-BUHFOSPRSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-(aminomethyl)benzoate
CID 571728
Methyl 4-(piperidin-1-ylmethyl)benzoate
CID 782306
Brl 26830A
CID 6438331
4-((((Benzyloxy)carbonyl)amino)methyl)benzoic acid
CID 1479997
Methyl 4-(pyrrolidin-1-ylmethyl)benzoate
CID 756589
Methyl 4-(aminomethyl)benzoate hydrochloride
CID 2729253
tert-Butyl 4-(aminomethyl)benzoate
CID 14514888
Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
CID 81781
Ethyl 4-(aminomethyl)benzoate
CID 436161
benzyl N-{4-[(methylamino)carbonyl]benzyl}carbamate
CID 1480002
Methyl 4-[[1-(dimethylamino)cyclohexyl]methylcarbamothioyl]benzoate
CID 2538196
Methyl4-{[(adamantan-1-yl)formamido]methyl}benzoate
CID 4472628

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate?
The IUPAC name of methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate (CID 11323897) is methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate.
What is the SMILES notation for methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate?
The canonical SMILES for methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate is CNC(/C(C)=C/c1ccccc1)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate?
The InChIKey is CTNSVCQIMUJYQA-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(13-15-7-5-4-6-8-15)18(20-2)16-9-11-17(12-10-16)19(21)22-3/h4-13,18,20H,1-3H3/b14-13+.
What are the key properties of methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate?
methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate has a molecular weight of 295.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(E)-2-methyl-1-(methylamino)-3-phenylprop-2-enyl]benzoate is sourced from PubChem (CID 11323897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).