methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate

C14H19NO4 — CID 58170806

IUPACmethyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(C)c(OCCN)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-10-8-11(4-5-13(16)18-3)9-12(17-2)14(10)19-7-6-15/h4-5,8-9H,6-7,15H2,1-3H3/b5-4+
InChIKeyMIIMIGJUBAIUEL-SNAWJCMRSA-N
MW265.31 g/mol
LogP1.53
Rot. Bonds6

About methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate

methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate (PubChem CID 58170806) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate
PubChem CID58170806
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(C)c(OCCN)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-10-8-11(4-5-13(16)18-3)9-12(17-2)14(10)19-7-6-15/h4-5,8-9H,6-7,15H2,1-3H3/b5-4+
InChIKeyMIIMIGJUBAIUEL-SNAWJCMRSA-N
XLogP1.53
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 72738902
methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate
CID 25012454
methyl 3-[3-iodo-5-methoxy-4-(methoxymethoxy)phenyl]prop-2-enoate
CID 6709744
tert-butyl N-[2-(4-formyl-2-methoxy-6-methylphenoxy)ethyl]carbamate
CID 163564266
(1E,6E)-1,7-bis[3,4-bis(2-aminoethoxy)-5-propoxyphenyl]hepta-1,6-diene-3,5-dione
CID 160746147
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
1,5-bis[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]penta-1,4-dien-3-one
CID 67519396
methyl (E)-3-[3-(tert-butylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoate
CID 47081369
(E)-3-[4-(3-amino-3-oxopropoxy)-3,5-dimethoxyphenyl]prop-2-enoic acid
CID 43516859
[2-(2,5-dimethylanilino)-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 4557651
(E)-4-[4-(aminomethyl)-3-methoxy-5-methylphenyl]but-3-en-2-one
CID 142222256
methyl (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 91684947

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate (CID 58170806) is methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate is COC(=O)/C=C/c1cc(C)c(OCCN)c(OC)c1.
What is the InChIKey of methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate?
The InChIKey is MIIMIGJUBAIUEL-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-8-11(4-5-13(16)18-3)9-12(17-2)14(10)19-7-6-15/h4-5,8-9H,6-7,15H2,1-3H3/b5-4+.
What are the key properties of methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate?
methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate has a molecular weight of 265.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate is sourced from PubChem (CID 58170806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).