N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

C19H22INO2 — CID 17336026

IUPACN-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(C)c1I
InChIInChI=1S/C19H22INO2/c1-12(2)15-5-7-17(8-6-15)23-11-18(22)21-16-9-13(3)19(20)14(4)10-16/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyVMLRYEXRIVUNAF-UHFFFAOYSA-N
MW423.29 g/mol
LogP5.05
Rot. Bonds5

About N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 17336026) has the molecular formula C19H22INO2 and a molecular weight of 423.29 g/mol. Its IUPAC name is N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID17336026
Molecular FormulaC19H22INO2
Molecular Weight423.29 g/mol
Exact Mass423.07
IUPAC NameN-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(C)c1I
InChIInChI=1S/C19H22INO2/c1-12(2)15-5-7-17(8-6-15)23-11-18(22)21-16-9-13(3)19(20)14(4)10-16/h5-10,12H,11H2,1-4H3,(H,21,22)
InChIKeyVMLRYEXRIVUNAF-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-hydroxy-5-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 91674560
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
N-[4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]phenyl]butanamide
CID 17202439
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918
N-[4-(3-methylbutoxy)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4949733
ethyl 4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 682450
2-(3,5-dimethoxyphenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 7707185
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 46420198
N-(2-amino-4,6-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 56773293
N-(3-cyanophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 798498
N-(6-amino-3-pyridinyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 119516013

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 17336026) is N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(C)c1I.
What is the InChIKey of N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is VMLRYEXRIVUNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO2/c1-12(2)15-5-7-17(8-6-15)23-11-18(22)21-16-9-13(3)19(20)14(4)10-16/h5-10,12H,11H2,1-4H3,(H,21,22).
What are the key properties of N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 423.29 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-3,5-dimethylphenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 17336026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).