methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate

C14H19NO5 — CID 174726129

IUPACmethyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate
SMILESCOC(=O)/C(=C\NCCO)c1c(OC)cccc1OC
InChIInChI=1S/C14H19NO5/c1-18-11-5-4-6-12(19-2)13(11)10(14(17)20-3)9-15-7-8-16/h4-6,9,15-16H,7-8H2,1-3H3/b10-9-
InChIKeyGRXLQKPOLWDQFW-KTKRTIGZSA-N
MW281.31 g/mol
LogP0.80
Rot. Bonds7

About methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate

methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate (PubChem CID 174726129) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate
PubChem CID174726129
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate
SMILESCOC(=O)/C(=C\NCCO)c1c(OC)cccc1OC
InChIInChI=1S/C14H19NO5/c1-18-11-5-4-6-12(19-2)13(11)10(14(17)20-3)9-15-7-8-16/h4-6,9,15-16H,7-8H2,1-3H3/b10-9-
InChIKeyGRXLQKPOLWDQFW-KTKRTIGZSA-N
XLogP0.80
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-dimethoxyphenyl)methylamino]ethanol
CID 82673406
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
2,6-dimethoxybenzohydrazide
CID 2806104
sodium (Z)-1-(2,6-dimethoxyphenyl)-4-methoxy-3,4-dioxobut-1-en-1-olate
CID 23667840
2-[(2,3-dimethoxyphenyl)methylamino]ethanol
CID 4717256
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
2-amino-N-(3-hydroxypropyl)-6-methoxybenzamide
CID 81421037
N-[3-(diethylamino)propyl]-2,6-dimethoxybenzamide
CID 3301412
2-(2,3-dimethoxyanilino)ethanol
CID 174734615
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
CID 66171373
2,6-dimethoxy-N-prop-2-enylbenzamide
CID 3569670
ethyl 2-(2,6-dimethoxyphenyl)-2-oxoacetate
CID 22560922

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate?
The IUPAC name of methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate (CID 174726129) is methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate is COC(=O)/C(=C\NCCO)c1c(OC)cccc1OC.
What is the InChIKey of methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate?
The InChIKey is GRXLQKPOLWDQFW-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H19NO5/c1-18-11-5-4-6-12(19-2)13(11)10(14(17)20-3)9-15-7-8-16/h4-6,9,15-16H,7-8H2,1-3H3/b10-9-.
What are the key properties of methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate?
methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate has a molecular weight of 281.31 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(2,6-dimethoxyphenyl)-3-(2-hydroxyethylamino)prop-2-enoate is sourced from PubChem (CID 174726129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).