N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide

C12H17IN2O3 — CID 119768618

IUPACN-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(O)COc1ccc(I)cc1
InChIInChI=1S/C12H17IN2O3/c1-14-7-12(17)15-6-10(16)8-18-11-4-2-9(13)3-5-11/h2-5,10,14,16H,6-8H2,1H3,(H,15,17)
InChIKeyKSQXNPMJVSPNOY-UHFFFAOYSA-N
MW364.18 g/mol
LogP0.37
Rot. Bonds7

About N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide

N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide (PubChem CID 119768618) has the molecular formula C12H17IN2O3 and a molecular weight of 364.18 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide
PubChem CID119768618
Molecular FormulaC12H17IN2O3
Molecular Weight364.18 g/mol
Exact Mass364.03
IUPAC NameN-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(O)COc1ccc(I)cc1
InChIInChI=1S/C12H17IN2O3/c1-14-7-12(17)15-6-10(16)8-18-11-4-2-9(13)3-5-11/h2-5,10,14,16H,6-8H2,1H3,(H,15,17)
InChIKeyKSQXNPMJVSPNOY-UHFFFAOYSA-N
XLogP0.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.18
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119768613
(2S)-1-(tert-butylamino)-3-(4-iodophenoxy)propan-2-ol
CID 101075385
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
2-(2,6-dimethylanilino)-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]acetamide
CID 111565418
2-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]-N-methylacetamide
CID 60712036
N-ethyl-2-[[3-(4-ethylphenoxy)-2-hydroxypropyl]amino]acetamide
CID 60908695
4-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]pentanamide
CID 120561361
1-(4-iodophenoxy)propan-2-ol
CID 65277775
3-[[2-(4-iodophenoxy)acetyl]amino]-2-methylpropanoic acid
CID 119237353
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-(4-ethylphenoxy)-3-(methylamino)propan-2-ol
CID 43188012
methyl 3-(4-iodophenoxy)-2-methylpropanoate
CID 43538009

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide (CID 119768618) is N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide is CNCC(=O)NCC(O)COc1ccc(I)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide?
The InChIKey is KSQXNPMJVSPNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O3/c1-14-7-12(17)15-6-10(16)8-18-11-4-2-9(13)3-5-11/h2-5,10,14,16H,6-8H2,1H3,(H,15,17).
What are the key properties of N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide?
N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide has a molecular weight of 364.18 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-iodophenoxy)propyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119768618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).