2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide

C10H13IN2O3 — CID 129301598

IUPAC2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNI)ccc1OCC(N)=O
InChIInChI=1S/C10H13IN2O3/c1-15-9-4-7(5-13-11)2-3-8(9)16-6-10(12)14/h2-4,13H,5-6H2,1H3,(H2,12,14)
InChIKeyGCISIEYEUCKQHI-UHFFFAOYSA-N
MW336.13 g/mol
LogP1.00
Rot. Bonds6

About 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide

2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide (PubChem CID 129301598) has the molecular formula C10H13IN2O3 and a molecular weight of 336.13 g/mol. Its IUPAC name is 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
PubChem CID129301598
Molecular FormulaC10H13IN2O3
Molecular Weight336.13 g/mol
Exact Mass336.00
IUPAC Name2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide
SMILESCOc1cc(CNI)ccc1OCC(N)=O
InChIInChI=1S/C10H13IN2O3/c1-15-9-4-7(5-13-11)2-3-8(9)16-6-10(12)14/h2-4,13H,5-6H2,1H3,(H2,12,14)
InChIKeyGCISIEYEUCKQHI-UHFFFAOYSA-N
XLogP1.00
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.13
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17290875
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[4-[[(3,5-dimethylphenyl)methylamino]methyl]-2-methoxyphenoxy]acetamide
CID 56820860
2-[2-methoxy-4-[(prop-2-ynylamino)methyl]phenoxy]acetamide
CID 94074154
3-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 102536557
2-[4-(butylaminomethyl)-2-methoxyphenoxy]acetamide;hydrochloride
CID 17289414
3-amino-N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]butanamide
CID 119734347
2-[2-methoxy-4-[(3-methoxypropylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17209258
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
2-[2-methoxy-4-[[2-(2-methoxyphenyl)ethylamino]methyl]phenoxy]acetamide
CID 17207216
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-fluoro-2-iodobenzamide
CID 60518362

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide (CID 129301598) is 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide is COc1cc(CNI)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide?
The InChIKey is GCISIEYEUCKQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2O3/c1-15-9-4-7(5-13-11)2-3-8(9)16-6-10(12)14/h2-4,13H,5-6H2,1H3,(H2,12,14).
What are the key properties of 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide?
2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide has a molecular weight of 336.13 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(iodoamino)methyl]-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 129301598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).