2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C20H23IN2O3 — CID 55416309

IUPAC2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C20H23IN2O3/c1-22(20(24)15-26-19-8-4-17(21)5-9-19)14-16-2-6-18(7-3-16)23-10-12-25-13-11-23/h2-9H,10-15H2,1H3
InChIKeyLGCWSFGRXKTUSH-UHFFFAOYSA-N
MW466.32 g/mol
LogP3.17
Rot. Bonds6

About 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 55416309) has the molecular formula C20H23IN2O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID55416309
Molecular FormulaC20H23IN2O3
Molecular Weight466.32 g/mol
Exact Mass466.08
IUPAC Name2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(I)cc1
InChIInChI=1S/C20H23IN2O3/c1-22(20(24)15-26-19-8-4-17(21)5-9-19)14-16-2-6-18(7-3-16)23-10-12-25-13-11-23/h2-9H,10-15H2,1H3
InChIKeyLGCWSFGRXKTUSH-UHFFFAOYSA-N
XLogP3.17
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-acetylphenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 26036986
4-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24551846
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55416112
2-[[2-(4-chlorophenoxy)acetyl]-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4820757
3-(4-cyanophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 34469649
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(4-iodophenyl)phenoxy]-N-methylacetamide
CID 4842945
N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51240858
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-4-naphthalen-1-yloxybutanamide
CID 55713133
4-(3,4-dichlorophenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 55826912
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
3-[2-(4-methoxyphenyl)-1H-indol-3-yl]-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 26973103

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 55416309) is 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is LGCWSFGRXKTUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O3/c1-22(20(24)15-26-19-8-4-17(21)5-9-19)14-16-2-6-18(7-3-16)23-10-12-25-13-11-23/h2-9H,10-15H2,1H3.
What are the key properties of 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 466.32 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 55416309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).