N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide

C11H15IN2O — CID 62637660

IUPACN-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C11H15IN2O/c1-7-4-5-9(6-10(7)12)14-11(15)8(2)13-3/h4-6,8,13H,1-3H3,(H,14,15)
InChIKeyIPFISMMSYRIKGE-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.15
Rot. Bonds3

About N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide

N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide (PubChem CID 62637660) has the molecular formula C11H15IN2O and a molecular weight of 318.16 g/mol. Its IUPAC name is N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
PubChem CID62637660
Molecular FormulaC11H15IN2O
Molecular Weight318.16 g/mol
Exact Mass318.02
IUPAC NameN-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(C)c(I)c1
InChIInChI=1S/C11H15IN2O/c1-7-4-5-9(6-10(7)12)14-11(15)8(2)13-3/h4-6,8,13H,1-3H3,(H,14,15)
InChIKeyIPFISMMSYRIKGE-UHFFFAOYSA-N
XLogP2.15
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.15
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

3-(3-iodo-4-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114897853
(2S)-N-(3-iodo-4-methylphenyl)-2-methylsulfanylpropanamide
CID 38913647
(2R)-N-(3-iodo-4-methylphenyl)-2-methylsulfanylpropanamide
CID 38913650
3-amino-N-(3-iodo-4-methylphenyl)-2-methylpropanamide
CID 62671199
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
2-cyano-N-(3-iodo-4-methylphenyl)-3-methylbutanamide
CID 114257384
(2S)-2-(methylamino)-N-(3-methylphenyl)propanamide
CID 59393630
N-(4-bromo-3,5-dimethylphenyl)-2-(methylamino)propanamide
CID 107574214
N-(3-iodo-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62834513
2-amino-N-(3-iodo-4-methylphenyl)hexanamide
CID 60853696
(2S)-2-(methylamino)-N-pyridin-4-ylpropanamide
CID 59361167
2-(methylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 60638794

Frequently Asked Questions

What is the IUPAC name of N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide (CID 62637660) is N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(C)c(I)c1.
What is the InChIKey of N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide?
The InChIKey is IPFISMMSYRIKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O/c1-7-4-5-9(6-10(7)12)14-11(15)8(2)13-3/h4-6,8,13H,1-3H3,(H,14,15).
What are the key properties of N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide?
N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide has a molecular weight of 318.16 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 62637660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).