2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide

C21H26N2O3 — CID 4038788

IUPAC2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(C=NNC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-4-5-13-25-19-11-9-18(10-12-19)15-22-23-21(24)16-26-20-8-6-7-17(2)14-20/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,23,24)
InChIKeyKLYGEISDWPKISM-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.09
Rot. Bonds10

About 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide

2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide (PubChem CID 4038788) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
PubChem CID4038788
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
SMILESCCCCCOc1ccc(C=NNC(=O)COc2cccc(C)c2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-4-5-13-25-19-11-9-18(10-12-19)15-22-23-21(24)16-26-20-8-6-7-17(2)14-20/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,23,24)
InChIKeyKLYGEISDWPKISM-UHFFFAOYSA-N
XLogP4.09
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.09
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

[4-[[[2-(3-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-butoxybenzoate
CID 4282339
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
[4-[[[2-(4-butoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 3401102
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
2-(4-chlorophenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190680
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
2-(4-butoxyphenoxy)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 3562472
2-(4-bromo-3-methylphenoxy)-N-[(E)-(4-butoxyphenyl)methylideneamino]acetamide
CID 19189802
2-(4-bromophenoxy)-N-[(Z)-(4-butoxyphenyl)methylideneamino]acetamide
CID 6043296

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide (CID 4038788) is 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide is CCCCCOc1ccc(C=NNC(=O)COc2cccc(C)c2)cc1.
What is the InChIKey of 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide?
The InChIKey is KLYGEISDWPKISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-4-5-13-25-19-11-9-18(10-12-19)15-22-23-21(24)16-26-20-8-6-7-17(2)14-20/h6-12,14-15H,3-5,13,16H2,1-2H3,(H,23,24).
What are the key properties of 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide?
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide has a molecular weight of 354.45 g/mol, XLogP of 4.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 4038788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).