2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide

C14H20INO2 — CID 61400047

IUPAC2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cccc(I)c1
InChIInChI=1S/C14H20INO2/c1-5-14(3,4)16-13(17)10(2)18-12-8-6-7-11(15)9-12/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyRZCWGZNINWGDHR-UHFFFAOYSA-N
MW361.22 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide

2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 61400047) has the molecular formula C14H20INO2 and a molecular weight of 361.22 g/mol. Its IUPAC name is 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
PubChem CID61400047
Molecular FormulaC14H20INO2
Molecular Weight361.22 g/mol
Exact Mass361.05
IUPAC Name2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)Oc1cccc(I)c1
InChIInChI=1S/C14H20INO2/c1-5-14(3,4)16-13(17)10(2)18-12-8-6-7-11(15)9-12/h6-10H,5H2,1-4H3,(H,16,17)
InChIKeyRZCWGZNINWGDHR-UHFFFAOYSA-N
XLogP3.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 53.36
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-(3-acetylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 43112351
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 63367482
N-(1-amino-2-methylpropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 63193676
2-(3-chlorophenoxy)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556752
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)propanamide
CID 113296492
(2R)-2-(3-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 100585169
2-[2-chloro-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 115956300
2-[2-bromo-6-(hydroxymethyl)phenoxy]-N-(2-methylbutan-2-yl)propanamide
CID 61391752
2-(2-formyl-4-methylphenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 63325789
N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
CID 112786440
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
N-tert-butyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide
CID 78933960

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide (CID 61400047) is 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)Oc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is RZCWGZNINWGDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO2/c1-5-14(3,4)16-13(17)10(2)18-12-8-6-7-11(15)9-12/h6-10H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide?
2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 361.22 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenoxy)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 61400047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).