N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine

C26H28N2O2 — CID 173355808

IUPACN-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine
SMILESCCC(=C(c1cccc(C=NOC)c1)c1ccccc1ON(C)C)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-5-23(21-13-7-6-8-14-21)26(22-15-11-12-20(18-22)19-27-29-4)24-16-9-10-17-25(24)30-28(2)3/h6-19H,5H2,1-4H3
InChIKeyHEAJYNODTHCRQR-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.89
Rot. Bonds8

About N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine

N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine (PubChem CID 173355808) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine.

Molecular Properties

Compound NameN-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine
PubChem CID173355808
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine
SMILESCCC(=C(c1cccc(C=NOC)c1)c1ccccc1ON(C)C)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-5-23(21-13-7-6-8-14-21)26(22-15-11-12-20(18-22)19-27-29-4)24-16-9-10-17-25(24)30-28(2)3/h6-19H,5H2,1-4H3
InChIKeyHEAJYNODTHCRQR-UHFFFAOYSA-N
XLogP5.89
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(methoxyiminomethyl)benzamide
CID 142643998
1-[2-(methoxyiminomethyl)phenyl]ethanone;1-[3-(methoxyiminomethyl)phenyl]ethanone;1-[4-(methoxyiminomethyl)phenyl]ethanone
CID 158736594
3-[2-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]propane-1,2-diol
CID 70549561
ethyl acetate;(E)-N-methoxy-1-phenylmethanimine
CID 174391278
(E)-3-[4-[(E)-1,2-diphenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 22144591
(E)-3-[4-[(E)-2-(2-chloro-4-methoxyphenyl)-1-[3-[(Z)-hydrazinylidenemethyl]phenyl]but-1-enyl]phenyl]prop-2-enoic acid
CID 88587559
(Z)-1-(3,4-dimethoxyphenyl)-N-methoxymethanimine
CID 5375403
[2-ethyl-4-[(E)-methoxyiminomethyl]phenyl]-(4-fluorophenyl)methanone
CID 58785106
2-hydroxy-5-[2-[2-[2-[2-[4-[1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]ethoxy]ethoxy]ethoxyiminomethyl]benzamide
CID 136601264
[2-[(E)-1-(7-hydroxy-1-benzofuran-3-yl)-2-phenylbut-1-enyl]phenyl] prop-2-enoate
CID 174699573
2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid
CID 86749984
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine?
The IUPAC name of N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine (CID 173355808) is N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine.
What is the SMILES notation for N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine?
The canonical SMILES for N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine is CCC(=C(c1cccc(C=NOC)c1)c1ccccc1ON(C)C)c1ccccc1.
What is the InChIKey of N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine?
The InChIKey is HEAJYNODTHCRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-5-23(21-13-7-6-8-14-21)26(22-15-11-12-20(18-22)19-27-29-4)24-16-9-10-17-25(24)30-28(2)3/h6-19H,5H2,1-4H3.
What are the key properties of N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine?
N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine has a molecular weight of 400.52 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(methoxyiminomethyl)phenyl]-2-phenylbut-1-enyl]phenoxy]-N-methylmethanamine is sourced from PubChem (CID 173355808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).