3-(3-iodophenoxy)-N-propan-2-ylpropanamide

C12H16INO2 — CID 55210430

IUPAC3-(3-iodophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1cccc(I)c1
InChIInChI=1S/C12H16INO2/c1-9(2)14-12(15)6-7-16-11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyHAXGZMDAXWOVKL-UHFFFAOYSA-N
MW333.17 g/mol
LogP2.58
Rot. Bonds5

About 3-(3-iodophenoxy)-N-propan-2-ylpropanamide

3-(3-iodophenoxy)-N-propan-2-ylpropanamide (PubChem CID 55210430) has the molecular formula C12H16INO2 and a molecular weight of 333.17 g/mol. Its IUPAC name is 3-(3-iodophenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-iodophenoxy)-N-propan-2-ylpropanamide
PubChem CID55210430
Molecular FormulaC12H16INO2
Molecular Weight333.17 g/mol
Exact Mass333.02
IUPAC Name3-(3-iodophenoxy)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCOc1cccc(I)c1
InChIInChI=1S/C12H16INO2/c1-9(2)14-12(15)6-7-16-11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,14,15)
InChIKeyHAXGZMDAXWOVKL-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.17
LogP ≤ 52.58
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

3-[3-(aminomethyl)phenoxy]-N-propan-2-ylpropanamide
CID 62625154
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
CID 55190813
3-[3-(2-aminopropyl)phenoxy]-N-propan-2-ylpropanamide
CID 62628251
4-(3-iodophenoxy)butan-2-one
CID 62031790
3-(4-bromo-3-methylphenoxy)-N-propan-2-ylpropanamide
CID 83133367
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
N-(1-iodo-3-methylbutan-2-yl)-3-(3-methylphenoxy)propanamide
CID 107860093
2-(3-iodophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7694493
N-(1-chloropropan-2-yl)-3-(3-methylphenoxy)propanamide
CID 114299616
(2S)-2-[3-(3-carbamoylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 119359380
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578

Frequently Asked Questions

What is the IUPAC name of 3-(3-iodophenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-iodophenoxy)-N-propan-2-ylpropanamide (CID 55210430) is 3-(3-iodophenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-iodophenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-iodophenoxy)-N-propan-2-ylpropanamide is CC(C)NC(=O)CCOc1cccc(I)c1.
What is the InChIKey of 3-(3-iodophenoxy)-N-propan-2-ylpropanamide?
The InChIKey is HAXGZMDAXWOVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO2/c1-9(2)14-12(15)6-7-16-11-5-3-4-10(13)8-11/h3-5,8-9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-iodophenoxy)-N-propan-2-ylpropanamide?
3-(3-iodophenoxy)-N-propan-2-ylpropanamide has a molecular weight of 333.17 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-iodophenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 55210430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).