2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide

C24H32N4O3 — CID 111048138

IUPAC2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(C/N=C(\Nc2ccccc2)N2CCCCC2)cc1OC
InChIInChI=1S/C24H32N4O3/c1-3-25-23(29)18-31-21-13-12-19(16-22(21)30-2)17-26-24(28-14-8-5-9-15-28)27-20-10-6-4-7-11-20/h4,6-7,10-13,16H,3,5,8-9,14-15,17-18H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyKVTKHOMJKGSLSI-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.66
Rot. Bonds8

About 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide

2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide (PubChem CID 111048138) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
PubChem CID111048138
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1ccc(C/N=C(\Nc2ccccc2)N2CCCCC2)cc1OC
InChIInChI=1S/C24H32N4O3/c1-3-25-23(29)18-31-21-13-12-19(16-22(21)30-2)17-26-24(28-14-8-5-9-15-28)27-20-10-6-4-7-11-20/h4,6-7,10-13,16H,3,5,8-9,14-15,17-18H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyKVTKHOMJKGSLSI-UHFFFAOYSA-N
XLogP3.66
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[[2-azaspiro[4.5]decan-2-yl(ethylamino)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide;hydroiodide
CID 111745323
N-phenyl-N'-[(3,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111033624
3-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-N-ethylbenzamide
CID 111071160
4-acetyl-N-ethyl-N'-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110963218
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032085
N-ethyl-N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]pyrrolidine-1-carboximidamide
CID 110956244
N-[5-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
CID 110956087
4-acetyl-N'-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110962278
methyl 5-[[[ethylamino(pyrrolidin-1-yl)methylidene]amino]methyl]-2-methoxybenzoate
CID 110955830
N-ethyl-2-[4-[[[ethylamino(propylamino)methylidene]amino]methyl]-2-methoxyphenoxy]acetamide;hydroiodide
CID 111227558
N'-benzyl-N-phenylpyrrolidine-1-carboximidamide
CID 12889972
N-ethyl-N'-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboximidamide
CID 111367189

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The IUPAC name of 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide (CID 111048138) is 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide is CCNC(=O)COc1ccc(C/N=C(\Nc2ccccc2)N2CCCCC2)cc1OC.
What is the InChIKey of 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
The InChIKey is KVTKHOMJKGSLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-3-25-23(29)18-31-21-13-12-19(16-22(21)30-2)17-26-24(28-14-8-5-9-15-28)27-20-10-6-4-7-11-20/h4,6-7,10-13,16H,3,5,8-9,14-15,17-18H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide?
2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide has a molecular weight of 424.55 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[anilino(piperidin-1-yl)methylidene]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide is sourced from PubChem (CID 111048138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).