2-[(4-iodophenyl)methylamino]-N-propylpropanamide

C13H19IN2O — CID 65477779

IUPAC2-[(4-iodophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(I)cc1
InChIInChI=1S/C13H19IN2O/c1-3-8-15-13(17)10(2)16-9-11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyVSGURRPMPWADEO-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.30
Rot. Bonds6

About 2-[(4-iodophenyl)methylamino]-N-propylpropanamide

2-[(4-iodophenyl)methylamino]-N-propylpropanamide (PubChem CID 65477779) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-[(4-iodophenyl)methylamino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(4-iodophenyl)methylamino]-N-propylpropanamide
PubChem CID65477779
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name2-[(4-iodophenyl)methylamino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCc1ccc(I)cc1
InChIInChI=1S/C13H19IN2O/c1-3-8-15-13(17)10(2)16-9-11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17)
InChIKeyVSGURRPMPWADEO-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.30
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

2-[(4-acetamidophenyl)methylamino]-N-propylpropanamide
CID 43224047
2-[(4-methylsulfonylphenyl)methylamino]-N-propylpropanamide
CID 61068547
2-[(3-fluoro-4-methylphenyl)methylamino]-N-propylpropanamide
CID 60702818
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
2-[(3-bromo-4-fluorophenyl)methylamino]-N-propylpropanamide
CID 43221804
N-propyl-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 63050518
N-butyl-2-[(4-cyanophenyl)methylamino]propanamide
CID 54936803
N-propyl-2-[(2,4,6-trimethylphenyl)methylamino]propanamide
CID 43221777
N-propyl-2-(quinolin-6-ylmethylamino)propanamide
CID 60659073
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
CID 62097569
N-(2-methoxyethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43087566
N-ethyl-2-[(4-methylsulfonylphenyl)methylamino]propanamide
CID 61068703

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodophenyl)methylamino]-N-propylpropanamide?
The IUPAC name of 2-[(4-iodophenyl)methylamino]-N-propylpropanamide (CID 65477779) is 2-[(4-iodophenyl)methylamino]-N-propylpropanamide.
What is the SMILES notation for 2-[(4-iodophenyl)methylamino]-N-propylpropanamide?
The canonical SMILES for 2-[(4-iodophenyl)methylamino]-N-propylpropanamide is CCCNC(=O)C(C)NCc1ccc(I)cc1.
What is the InChIKey of 2-[(4-iodophenyl)methylamino]-N-propylpropanamide?
The InChIKey is VSGURRPMPWADEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-3-8-15-13(17)10(2)16-9-11-4-6-12(14)7-5-11/h4-7,10,16H,3,8-9H2,1-2H3,(H,15,17).
What are the key properties of 2-[(4-iodophenyl)methylamino]-N-propylpropanamide?
2-[(4-iodophenyl)methylamino]-N-propylpropanamide has a molecular weight of 346.21 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodophenyl)methylamino]-N-propylpropanamide is sourced from PubChem (CID 65477779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).