2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

C20H23IN2O3 — CID 55969614

IUPAC2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(I)cc1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C20H23IN2O3/c21-18-4-6-19(7-5-18)26-15-20(24)22-13-16-2-1-3-17(12-16)14-23-8-10-25-11-9-23/h1-7,12H,8-11,13-15H2,(H,22,24)
InChIKeyGBIRORRHKLCANS-UHFFFAOYSA-N
MW466.32 g/mol
LogP2.82
Rot. Bonds7

About 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide

2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55969614) has the molecular formula C20H23IN2O3 and a molecular weight of 466.32 g/mol. Its IUPAC name is 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
PubChem CID55969614
Molecular FormulaC20H23IN2O3
Molecular Weight466.32 g/mol
Exact Mass466.08
IUPAC Name2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(COc1ccc(I)cc1)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C20H23IN2O3/c21-18-4-6-19(7-5-18)26-15-20(24)22-13-16-2-1-3-17(12-16)14-23-8-10-25-11-9-23/h1-7,12H,8-11,13-15H2,(H,22,24)
InChIKeyGBIRORRHKLCANS-UHFFFAOYSA-N
XLogP2.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55970132
4-(4-methylphenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 94134123
2-(4-anilinophenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 24652273
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2-(2-fluorophenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 94136673
3-amino-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]butanamide;dihydrochloride
CID 119847390
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-propan-2-yloxybenzamide
CID 94134147
3,4-dimethyl-N-[2-[[3-(morpholin-4-ylmethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 60571005
N-(5-methyl-1,2-oxazol-3-yl)-2-[3-(morpholin-4-ylmethyl)phenoxy]acetamide
CID 171909386
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 51207835

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide (CID 55969614) is 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is O=C(COc1ccc(I)cc1)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is GBIRORRHKLCANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23IN2O3/c21-18-4-6-19(7-5-18)26-15-20(24)22-13-16-2-1-3-17(12-16)14-23-8-10-25-11-9-23/h1-7,12H,8-11,13-15H2,(H,22,24).
What are the key properties of 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide?
2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 466.32 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenoxy)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55969614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).