methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate

C17H17NO4 — CID 67784963

IUPACmethyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
SMILESCO/C=C(\C(=O)OC)c1ccccc1Oc1cccc(N)c1
InChIInChI=1S/C17H17NO4/c1-20-11-15(17(19)21-2)14-8-3-4-9-16(14)22-13-7-5-6-12(18)10-13/h3-11H,18H2,1-2H3/b15-11-
InChIKeyYLLCWIOGVJQOJF-PTNGSMBKSA-N
MW299.33 g/mol
LogP3.22
Rot. Bonds5

About methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate

methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate (PubChem CID 67784963) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
PubChem CID67784963
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
SMILESCO/C=C(\C(=O)OC)c1ccccc1Oc1cccc(N)c1
InChIInChI=1S/C17H17NO4/c1-20-11-15(17(19)21-2)14-8-3-4-9-16(14)22-13-7-5-6-12(18)10-13/h3-11H,18H2,1-2H3/b15-11-
InChIKeyYLLCWIOGVJQOJF-PTNGSMBKSA-N
XLogP3.22
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-(3-anilinophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 54157261
methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate
CID 15125736
methyl (E)-3-methoxy-2-[2-[3-(5-methylpyrimidin-2-yl)oxyphenoxy]phenyl]prop-2-enoate
CID 66620695
methyl 3-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54282880
2-[2-(3-formylphenoxy)phenyl]-3-methoxyprop-2-enoic acid
CID 173342076
methyl 3-methoxy-2-[2-[(4-phenoxy-1,3,5-triazin-2-yl)oxy]phenyl]prop-2-enoate
CID 54201537
(Z)-2-[2-[3-[hydroxy(phenyl)methyl]phenoxy]phenyl]-3-methoxyprop-2-enoic acid
CID 22243719
3-methoxy-2-[2-(3-phenoxycarbonylphenoxy)phenyl]prop-2-enoic acid
CID 151245720
3-[2-(3-aminophenoxy)phenoxy]aniline
CID 22184040
methyl (E)-3-methoxy-2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 67782160
ethane;methyl 3-methoxy-2-[2-[(3-phenoxyphenoxy)methyl]phenyl]prop-2-enoate
CID 91362443
methyl (E)-3-methoxy-2-[2-[6-(2-sulfanylphenoxy)pyrimidin-4-yl]oxyphenyl]prop-2-enoate
CID 160938995

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate?
The IUPAC name of methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate (CID 67784963) is methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate is CO/C=C(\C(=O)OC)c1ccccc1Oc1cccc(N)c1.
What is the InChIKey of methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate?
The InChIKey is YLLCWIOGVJQOJF-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-11-15(17(19)21-2)14-8-3-4-9-16(14)22-13-7-5-6-12(18)10-13/h3-11H,18H2,1-2H3/b15-11-.
What are the key properties of methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate?
methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate has a molecular weight of 299.33 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate is sourced from PubChem (CID 67784963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).