N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine

C20H24N2O4 — CID 2327646

IUPACN-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine
SMILESC=C(NOC)c1ccc(OCCOc2ccc(C(=C)NOC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-15(21-23-3)17-5-9-19(10-6-17)25-13-14-26-20-11-7-18(8-12-20)16(2)22-24-4/h5-12,21-22H,1-2,13-14H2,3-4H3
InChIKeyBOIPVANMQYEDTN-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.39
Rot. Bonds11

About N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine

N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine (PubChem CID 2327646) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine.

Molecular Properties

Compound NameN-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine
PubChem CID2327646
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC NameN-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine
SMILESC=C(NOC)c1ccc(OCCOc2ccc(C(=C)NOC)cc2)cc1
InChIInChI=1S/C20H24N2O4/c1-15(21-23-3)17-5-9-19(10-6-17)25-13-14-26-20-11-7-18(8-12-20)16(2)22-24-4/h5-12,21-22H,1-2,13-14H2,3-4H3
InChIKeyBOIPVANMQYEDTN-UHFFFAOYSA-N
XLogP3.39
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-1-(4-methylphenyl)ethenamine
CID 56975753
2-(4-prop-1-en-2-ylphenoxy)ethyl carbamate
CID 19792877
1-(3-methoxypropoxy)-4-prop-1-en-2-ylbenzene
CID 139799938
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
bis[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethoxy]phenyl]methanone
CID 121309000
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 4-[4-(2-methylprop-2-enoyloxy)butoxy]benzoate
CID 58785408
N-ethyl-4-(2-methoxyethoxy)benzamide
CID 15943034
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272
methyl 2-[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]-2-oxoacetate
CID 54129750
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine?
The IUPAC name of N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine (CID 2327646) is N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine.
What is the SMILES notation for N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine?
The canonical SMILES for N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine is C=C(NOC)c1ccc(OCCOc2ccc(C(=C)NOC)cc2)cc1.
What is the InChIKey of N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine?
The InChIKey is BOIPVANMQYEDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-15(21-23-3)17-5-9-19(10-6-17)25-13-14-26-20-11-7-18(8-12-20)16(2)22-24-4/h5-12,21-22H,1-2,13-14H2,3-4H3.
What are the key properties of N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine?
N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine has a molecular weight of 356.42 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[4-[2-[4-[1-(methoxyamino)ethenyl]phenoxy]ethoxy]phenyl]ethenamine is sourced from PubChem (CID 2327646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).