N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide

C21H26IN3O3 — CID 55548156

IUPACN-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C21H26IN3O3/c1-3-25(4-2)13-14-28-17-11-9-16(10-12-17)24-20(26)15-23-21(27)18-7-5-6-8-19(18)22/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZNOUALIEDYUALR-UHFFFAOYSA-N
MW495.36 g/mol
LogP3.38
Rot. Bonds10

About N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide

N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide (PubChem CID 55548156) has the molecular formula C21H26IN3O3 and a molecular weight of 495.36 g/mol. Its IUPAC name is N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide
PubChem CID55548156
Molecular FormulaC21H26IN3O3
Molecular Weight495.36 g/mol
Exact Mass495.10
IUPAC NameN-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide
SMILESCCN(CC)CCOc1ccc(NC(=O)CNC(=O)c2ccccc2I)cc1
InChIInChI=1S/C21H26IN3O3/c1-3-25(4-2)13-14-28-17-11-9-16(10-12-17)24-20(26)15-23-21(27)18-7-5-6-8-19(18)22/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyZNOUALIEDYUALR-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.36
LogP ≤ 53.38
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

N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55914707
2-iodo-N-(4-propoxyphenyl)benzamide
CID 4942969
butyl 4-[[2-[(2-iodobenzoyl)amino]acetyl]amino]benzoate
CID 35143035
N-[2-(4-anilinoanilino)-2-oxoethyl]-2-iodobenzamide
CID 29265811
2-iodo-N-[2-oxo-2-(2-phenoxyethylamino)ethyl]benzamide
CID 32933927
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
2-methyl-N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]benzamide
CID 92532530
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-iodobenzamide
CID 17229734
N-[4-[3-(diethylamino)propoxy]phenyl]propanamide
CID 174597936
N-[4-[2-(diethylamino)ethoxy]phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430502
2-amino-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide;dihydrochloride
CID 119946524
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide?
The IUPAC name of N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide (CID 55548156) is N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide.
What is the SMILES notation for N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide?
The canonical SMILES for N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide is CCN(CC)CCOc1ccc(NC(=O)CNC(=O)c2ccccc2I)cc1.
What is the InChIKey of N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide?
The InChIKey is ZNOUALIEDYUALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26IN3O3/c1-3-25(4-2)13-14-28-17-11-9-16(10-12-17)24-20(26)15-23-21(27)18-7-5-6-8-19(18)22/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide?
N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide has a molecular weight of 495.36 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(diethylamino)ethoxy]anilino]-2-oxoethyl]-2-iodobenzamide is sourced from PubChem (CID 55548156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).