N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide

C23H30N2O3 — CID 3923690

IUPACN-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCCCCCCc1ccc(OCCOc2ccc(C=NNC(C)=O)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-4-5-6-7-20-8-12-22(13-9-20)27-16-17-28-23-14-10-21(11-15-23)18-24-25-19(2)26/h8-15,18H,3-7,16-17H2,1-2H3,(H,25,26)
InChIKeyLBULKJMRSQAJGC-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.74
Rot. Bonds12

About N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide

N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide (PubChem CID 3923690) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
PubChem CID3923690
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
SMILESCCCCCCc1ccc(OCCOc2ccc(C=NNC(C)=O)cc2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-4-5-6-7-20-8-12-22(13-9-20)27-16-17-28-23-14-10-21(11-15-23)18-24-25-19(2)26/h8-15,18H,3-7,16-17H2,1-2H3,(H,25,26)
InChIKeyLBULKJMRSQAJGC-UHFFFAOYSA-N
XLogP4.74
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(4-pentoxyphenyl)methylideneamino]acetamide
CID 9074224
N-[(4-butoxyphenyl)methylideneamino]dodecanamide
CID 3705573
[4-[(E)-(acetylhydrazinylidene)methyl]phenyl] 4-butoxybenzoate
CID 6029290
N-[(Z)-(4-pentoxyphenyl)methylideneamino]dodecanamide
CID 6176857
N-[(Z)-(4-heptoxyphenyl)methylideneamino]octanamide
CID 6322467
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
N'-[(4-hexoxyphenyl)methylideneamino]oxamide
CID 2590490
[4-[(Z)-(acetylhydrazinylidene)methyl]phenyl] 4-propoxybenzoate
CID 6382908
1-(4-pentoxyphenyl)-N-[4-[8-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]octyl]phenyl]methanimine
CID 101084662
1-(4-hexoxyphenyl)-N-(4-nonylphenyl)methanimine
CID 2753464

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide (CID 3923690) is N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide is CCCCCCc1ccc(OCCOc2ccc(C=NNC(C)=O)cc2)cc1.
What is the InChIKey of N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
The InChIKey is LBULKJMRSQAJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-4-5-6-7-20-8-12-22(13-9-20)27-16-17-28-23-14-10-21(11-15-23)18-24-25-19(2)26/h8-15,18H,3-7,16-17H2,1-2H3,(H,25,26).
What are the key properties of N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide?
N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide has a molecular weight of 382.50 g/mol, XLogP of 4.74, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-hexylphenoxy)ethoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 3923690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).