3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide

C11H15IN2O2 — CID 106111632

IUPAC3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C11H15IN2O2/c1-7-5-8(12)3-4-9(7)14-11(15)10(6-13)16-2/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyBCCXRZJTICWZAG-UHFFFAOYSA-N
MW334.16 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide

3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide (PubChem CID 106111632) has the molecular formula C11H15IN2O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
PubChem CID106111632
Molecular FormulaC11H15IN2O2
Molecular Weight334.16 g/mol
Exact Mass334.02
IUPAC Name3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide
SMILESCOC(CN)C(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C11H15IN2O2/c1-7-5-8(12)3-4-9(7)14-11(15)10(6-13)16-2/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyBCCXRZJTICWZAG-UHFFFAOYSA-N
XLogP1.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 51.51
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-(aminomethyl)-N-(4-iodo-2-methylphenyl)-4,4-dimethylpentanamide
CID 107471361
3-amino-N-(2-iodophenyl)-2-methoxypropanamide
CID 106111227
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 17034271
2-amino-N-(4-iodo-2-methylphenyl)butanediamide;hydrochloride
CID 119955707
3-amino-N-(5-chloro-2-methylphenyl)-2-methoxypropanamide
CID 106111180
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
4-amino-N-(4-iodo-2-methylphenyl)-3-methylbutanamide
CID 81075652
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
2-(4-fluorophenoxy)-N-(4-iodo-2-methylphenyl)butanamide
CID 43877200
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methoxypropanamide
CID 106111576
N-(2,2-dimethoxyethyl)-N'-(4-iodo-2-methylphenyl)oxamide
CID 108516409
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide (CID 106111632) is 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide is COC(CN)C(=O)Nc1ccc(I)cc1C.
What is the InChIKey of 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide?
The InChIKey is BCCXRZJTICWZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O2/c1-7-5-8(12)3-4-9(7)14-11(15)10(6-13)16-2/h3-5,10H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide?
3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide has a molecular weight of 334.16 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-iodo-2-methylphenyl)-2-methoxypropanamide is sourced from PubChem (CID 106111632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).