2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide

C20H24INO2 — CID 53266571

IUPAC2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide
SMILESCc1cc(I)ccc1NC(=O)C(C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C20H24INO2/c1-13-12-15(21)10-11-17(13)22-19(23)14(2)24-18-9-7-6-8-16(18)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)
InChIKeyGGPNUKNCDSZYGD-UHFFFAOYSA-N
MW437.32 g/mol
LogP5.30
Rot. Bonds4

About 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide

2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide (PubChem CID 53266571) has the molecular formula C20H24INO2 and a molecular weight of 437.32 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide
PubChem CID53266571
Molecular FormulaC20H24INO2
Molecular Weight437.32 g/mol
Exact Mass437.09
IUPAC Name2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide
SMILESCc1cc(I)ccc1NC(=O)C(C)Oc1ccccc1C(C)(C)C
InChIInChI=1S/C20H24INO2/c1-13-12-15(21)10-11-17(13)22-19(23)14(2)24-18-9-7-6-8-16(18)20(3,4)5/h6-12,14H,1-5H3,(H,22,23)
InChIKeyGGPNUKNCDSZYGD-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.32
LogP ≤ 55.30
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

2-(2-tert-butylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 53266580
2-(2-tert-butylphenoxy)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 53266468
(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95076832
2-(2-tert-butylphenoxy)-N-(3-methylphenyl)propanamide
CID 53266482
2-(2-tert-butylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266594
N-(4-acetylphenyl)-2-(2-tert-butylphenoxy)propanamide
CID 53266435
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
1-(4-iodo-2-methylphenyl)-3-[1-(2-propan-2-ylphenoxy)ethyl]urea
CID 108878706
2-(2-tert-butylphenoxy)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 53266361
(2S)-2-(4-iodophenoxy)-N-(2-methylphenyl)propanamide
CID 1008812
propan-2-yl 4-[2-(2-tert-butylphenoxy)propanoylamino]benzoate
CID 53266510
(2R)-2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 92647108

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide (CID 53266571) is 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide is Cc1cc(I)ccc1NC(=O)C(C)Oc1ccccc1C(C)(C)C.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide?
The InChIKey is GGPNUKNCDSZYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24INO2/c1-13-12-15(21)10-11-17(13)22-19(23)14(2)24-18-9-7-6-8-16(18)20(3,4)5/h6-12,14H,1-5H3,(H,22,23).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide?
2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide has a molecular weight of 437.32 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(4-iodo-2-methylphenyl)propanamide is sourced from PubChem (CID 53266571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).