N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide

C20H24IN3O3 — CID 60545218

IUPACN-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
SMILESCN(C)CCOc1cccc(CNC(=O)CNC(=O)c2ccccc2I)c1
InChIInChI=1S/C20H24IN3O3/c1-24(2)10-11-27-16-7-5-6-15(12-16)13-22-19(25)14-23-20(26)17-8-3-4-9-18(17)21/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMXHNUVNUQGBEPG-UHFFFAOYSA-N
MW481.33 g/mol
LogP2.28
Rot. Bonds9

About N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide

N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide (PubChem CID 60545218) has the molecular formula C20H24IN3O3 and a molecular weight of 481.33 g/mol. Its IUPAC name is N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
PubChem CID60545218
Molecular FormulaC20H24IN3O3
Molecular Weight481.33 g/mol
Exact Mass481.09
IUPAC NameN-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide
SMILESCN(C)CCOc1cccc(CNC(=O)CNC(=O)c2ccccc2I)c1
InChIInChI=1S/C20H24IN3O3/c1-24(2)10-11-27-16-7-5-6-15(12-16)13-22-19(25)14-23-20(26)17-8-3-4-9-18(17)21/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyMXHNUVNUQGBEPG-UHFFFAOYSA-N
XLogP2.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 55586921
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 32933927
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]pentanamide;dihydrochloride
CID 120564549
2-iodo-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 2688094
N-[2-[(3-hydroxy-4-methoxyphenyl)methylamino]-2-oxoethyl]-2-iodobenzamide
CID 52693589
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-hydroxy-2-phenylacetamide
CID 111537947
4-amino-N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-methoxybutanamide;dihydrochloride
CID 120595243
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide
CID 55548156
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
N-[2-[[3-(2-methoxyethoxy)phenyl]methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 86829840

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide (CID 60545218) is N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide is CN(C)CCOc1cccc(CNC(=O)CNC(=O)c2ccccc2I)c1.
What is the InChIKey of N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is MXHNUVNUQGBEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24IN3O3/c1-24(2)10-11-27-16-7-5-6-15(12-16)13-22-19(25)14-23-20(26)17-8-3-4-9-18(17)21/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide?
N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 481.33 g/mol, XLogP of 2.28, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-[2-(dimethylamino)ethoxy]phenyl]methylamino]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 60545218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).