4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide

C22H25IN2O3 — CID 17497320

IUPAC4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(I)cc2)c(C)c1
InChIInChI=1S/C22H25IN2O3/c1-14-11-15(2)22(16(3)12-14)24-20(27)13-25(4)21(28)10-9-19(26)17-5-7-18(23)8-6-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,27)
InChIKeyHEOJAUAQQWCMFC-UHFFFAOYSA-N
MW492.36 g/mol
LogP4.28
Rot. Bonds7

About 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide

4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide (PubChem CID 17497320) has the molecular formula C22H25IN2O3 and a molecular weight of 492.36 g/mol. Its IUPAC name is 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide.

Molecular Properties

Compound Name4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
PubChem CID17497320
Molecular FormulaC22H25IN2O3
Molecular Weight492.36 g/mol
Exact Mass492.09
IUPAC Name4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(I)cc2)c(C)c1
InChIInChI=1S/C22H25IN2O3/c1-14-11-15(2)22(16(3)12-14)24-20(27)13-25(4)21(28)10-9-19(26)17-5-7-18(23)8-6-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,27)
InChIKeyHEOJAUAQQWCMFC-UHFFFAOYSA-N
XLogP4.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-ethoxyphenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide
CID 7974208
2-[[2-(4-iodophenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 112761998
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
4-bromo-N-[3-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-3-oxopropyl]benzamide
CID 26714808
3-iodo-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27784015
4-chloro-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 27783986
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-N',N'-dipropylpentanediamide
CID 56540496
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(3,4-dimethylphenyl)-N-methyl-4-oxobutanamide
CID 9426396
4-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9426993
3-(3,5-dimethoxyphenyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 9093129
3-(4-bromophenyl)sulfanyl-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide
CID 55997717

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide?
The IUPAC name of 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide (CID 17497320) is 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide.
What is the SMILES notation for 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide?
The canonical SMILES for 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)CCC(=O)c2ccc(I)cc2)c(C)c1.
What is the InChIKey of 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide?
The InChIKey is HEOJAUAQQWCMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25IN2O3/c1-14-11-15(2)22(16(3)12-14)24-20(27)13-25(4)21(28)10-9-19(26)17-5-7-18(23)8-6-17/h5-8,11-12H,9-10,13H2,1-4H3,(H,24,27).
What are the key properties of 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide?
4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide has a molecular weight of 492.36 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]butanamide is sourced from PubChem (CID 17497320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).