2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide

C12H17IN2O — CID 120830379

IUPAC2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)Cc1cccc(I)c1
InChIInChI=1S/C12H17IN2O/c1-9(14-2)8-15-12(16)7-10-4-3-5-11(13)6-10/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyGXPMSAASTUGWDG-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.56
Rot. Bonds5

About 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide

2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide (PubChem CID 120830379) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
PubChem CID120830379
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC Name2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide
SMILESCNC(C)CNC(=O)Cc1cccc(I)c1
InChIInChI=1S/C12H17IN2O/c1-9(14-2)8-15-12(16)7-10-4-3-5-11(13)6-10/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyGXPMSAASTUGWDG-UHFFFAOYSA-N
XLogP1.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
CID 120652816
2-(3-iodophenyl)-N-methylacetamide
CID 130614224
N-[(2S)-2-hydroxypentyl]-2-(3-iodophenyl)acetamide
CID 97227819
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-2-phenylacetamide
CID 120829825
N-[(2S)-1-aminopropan-2-yl]-2-(3-iodophenyl)acetamide
CID 120505769
2-(4-ethylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120832655
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
2-(3-methoxy-4-methylphenyl)-N-[2-(methylamino)propyl]acetamide
CID 120827889
N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
2-[(3-iodophenyl)methylamino]-N-methylpropanamide
CID 20823789
2-[(3-chlorophenyl)methylsulfanyl]-N-[2-(methylamino)propyl]acetamide
CID 120831411
N-[2-(methylamino)propyl]-2-thiophen-2-ylacetamide;hydrochloride
CID 120827269

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide?
The IUPAC name of 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide (CID 120830379) is 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide.
What is the SMILES notation for 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide?
The canonical SMILES for 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide is CNC(C)CNC(=O)Cc1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide?
The InChIKey is GXPMSAASTUGWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-9(14-2)8-15-12(16)7-10-4-3-5-11(13)6-10/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide?
2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide has a molecular weight of 332.19 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-N-[2-(methylamino)propyl]acetamide is sourced from PubChem (CID 120830379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).