(Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine

C21H23NO3 — CID 89166660

IUPAC(Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine
SMILESC=CCOc1ccc(/C=C(\N)c2ccc(OCC=C)c(OC)c2)cc1
InChIInChI=1S/C21H23NO3/c1-4-12-24-18-9-6-16(7-10-18)14-19(22)17-8-11-20(25-13-5-2)21(15-17)23-3/h4-11,14-15H,1-2,12-13,22H2,3H3/b19-14-
InChIKeyOJZLUNMVCMJGDS-RGEXLXHISA-N
MW337.42 g/mol
LogP4.28
Rot. Bonds9

About (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine

(Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine (PubChem CID 89166660) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine.

Molecular Properties

Compound Name(Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine
PubChem CID89166660
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name(Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine
SMILESC=CCOc1ccc(/C=C(\N)c2ccc(OCC=C)c(OC)c2)cc1
InChIInChI=1S/C21H23NO3/c1-4-12-24-18-9-6-16(7-10-18)14-19(22)17-8-11-20(25-13-5-2)21(15-17)23-3/h4-11,14-15H,1-2,12-13,22H2,3H3/b19-14-
InChIKeyOJZLUNMVCMJGDS-RGEXLXHISA-N
XLogP4.28
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-3-methoxy-4-prop-2-enoxybenzenecarboximidamide
CID 54847117
3-(3-methoxy-4-prop-2-enoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334099
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440
N'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-prop-2-enoxybenzohydrazide
CID 6232483
2-methoxy-4-[2-[4-[4-[2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]-1-prop-2-enoxybenzene
CID 54438729
2-methoxy-4-[(E)-2-nitrobut-1-enyl]-1-prop-2-enoxybenzene
CID 55016454
2-methoxy-4-(4-methyl-2-nitropent-1-enyl)-1-prop-2-enoxybenzene
CID 76949377
(E)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-en-1-one
CID 162351662
5-[(Z)-1-chloro-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041813
N-[3-(3,4-dimethoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 48586947
(E)-1-(4-prop-2-enoxyphenyl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 59084049
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine?
The IUPAC name of (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine (CID 89166660) is (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine.
What is the SMILES notation for (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine?
The canonical SMILES for (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine is C=CCOc1ccc(/C=C(\N)c2ccc(OCC=C)c(OC)c2)cc1.
What is the InChIKey of (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine?
The InChIKey is OJZLUNMVCMJGDS-RGEXLXHISA-N. The full InChI is InChI=1S/C21H23NO3/c1-4-12-24-18-9-6-16(7-10-18)14-19(22)17-8-11-20(25-13-5-2)21(15-17)23-3/h4-11,14-15H,1-2,12-13,22H2,3H3/b19-14-.
What are the key properties of (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine?
(Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine has a molecular weight of 337.42 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-methoxy-4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethenamine is sourced from PubChem (CID 89166660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).