2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide

C14H19IN2O2 — CID 120783594

IUPAC2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
SMILESCc1ccc(NC(=O)C(N)C2CCOCC2)cc1I
InChIInChI=1S/C14H19IN2O2/c1-9-2-3-11(8-12(9)15)17-14(18)13(16)10-4-6-19-7-5-10/h2-3,8,10,13H,4-7,16H2,1H3,(H,17,18)
InChIKeyRUNRIPCCWNHXIQ-UHFFFAOYSA-N
MW374.22 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide

2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide (PubChem CID 120783594) has the molecular formula C14H19IN2O2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
PubChem CID120783594
Molecular FormulaC14H19IN2O2
Molecular Weight374.22 g/mol
Exact Mass374.05
IUPAC Name2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
SMILESCc1ccc(NC(=O)C(N)C2CCOCC2)cc1I
InChIInChI=1S/C14H19IN2O2/c1-9-2-3-11(8-12(9)15)17-14(18)13(16)10-4-6-19-7-5-10/h2-3,8,10,13H,4-7,16H2,1H3,(H,17,18)
InChIKeyRUNRIPCCWNHXIQ-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-methyl-3-sulfamoylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784349
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
5-[[2-amino-2-(oxan-4-yl)acetyl]amino]-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120792775
N-(3-iodo-4-methylphenyl)oxane-4-carboxamide
CID 31969171
2-amino-N-(3,4-difluorophenyl)-2-(oxan-4-yl)acetamide
CID 120782962
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
2-amino-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120788893
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
N-(3-acetamido-4-fluorophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785529
2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
CID 120791756
2-amino-2-(oxan-4-yl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 120785656

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide (CID 120783594) is 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide is Cc1ccc(NC(=O)C(N)C2CCOCC2)cc1I.
What is the InChIKey of 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is RUNRIPCCWNHXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19IN2O2/c1-9-2-3-11(8-12(9)15)17-14(18)13(16)10-4-6-19-7-5-10/h2-3,8,10,13H,4-7,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 374.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120783594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).