methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate

C24H23NO4 — CID 15125736

IUPACmethyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccccc1Oc1cccc(N(C)c2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-25(18-10-5-4-6-11-18)19-12-9-13-20(16-19)29-23-15-8-7-14-21(23)22(17-27-2)24(26)28-3/h4-17H,1-3H3/b22-17+
InChIKeyIOTXYMGMXAPANE-OQKWZONESA-N
MW389.45 g/mol
LogP5.41
Rot. Bonds7

About methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate

methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate (PubChem CID 15125736) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate
PubChem CID15125736
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Namemethyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate
SMILESCO/C=C(/C(=O)OC)c1ccccc1Oc1cccc(N(C)c2ccccc2)c1
InChIInChI=1S/C24H23NO4/c1-25(18-10-5-4-6-11-18)19-12-9-13-20(16-19)29-23-15-8-7-14-21(23)22(17-27-2)24(26)28-3/h4-17H,1-3H3/b22-17+
InChIKeyIOTXYMGMXAPANE-OQKWZONESA-N
XLogP5.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (Z)-2-[2-(3-aminophenoxy)phenyl]-3-methoxyprop-2-enoate
CID 67784963
methyl (E)-3-methoxy-2-[2-[3-(5-methylpyrimidin-2-yl)oxyphenoxy]phenyl]prop-2-enoate
CID 66620695
2-[2-(3-formylphenoxy)phenyl]-3-methoxyprop-2-enoic acid
CID 173342076
methyl (E)-2-[4-chloro-2-[[3-(N-methylanilino)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
CID 11561204
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
methyl 3-methoxy-2-[2-[(6-methyl-3-pyridinyl)oxy]phenyl]prop-2-enoate
CID 54282880
3-methoxy-2-[2-(3-phenoxycarbonylphenoxy)phenyl]prop-2-enoic acid
CID 151245720
methyl 2-[2-[[4-(diethylamino)-6-phenoxy-1,3,5-triazin-2-yl]oxy]phenyl]-3-methoxyprop-2-enoate
CID 5085833
2-[(Z)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]benzoic acid
CID 12680860
methyl (E)-3-methoxy-2-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)oxy]phenyl]prop-2-enoate
CID 67782160

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate (CID 15125736) is methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate is CO/C=C(/C(=O)OC)c1ccccc1Oc1cccc(N(C)c2ccccc2)c1.
What is the InChIKey of methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate?
The InChIKey is IOTXYMGMXAPANE-OQKWZONESA-N. The full InChI is InChI=1S/C24H23NO4/c1-25(18-10-5-4-6-11-18)19-12-9-13-20(16-19)29-23-15-8-7-14-21(23)22(17-27-2)24(26)28-3/h4-17H,1-3H3/b22-17+.
What are the key properties of methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate?
methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate has a molecular weight of 389.45 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-methoxy-2-[2-[3-(N-methylanilino)phenoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 15125736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).