5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide

C13H19IN2O2 — CID 62941644

IUPAC5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide
SMILESCOc1ccc(I)cc1C(N)CC(C)CC(N)=O
InChIInChI=1S/C13H19IN2O2/c1-8(6-13(16)17)5-11(15)10-7-9(14)3-4-12(10)18-2/h3-4,7-8,11H,5-6,15H2,1-2H3,(H2,16,17)
InChIKeyZWFIGFCBBAGENA-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.20
Rot. Bonds6

About 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide

5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide (PubChem CID 62941644) has the molecular formula C13H19IN2O2 and a molecular weight of 362.21 g/mol. Its IUPAC name is 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide.

Molecular Properties

Compound Name5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide
PubChem CID62941644
Molecular FormulaC13H19IN2O2
Molecular Weight362.21 g/mol
Exact Mass362.05
IUPAC Name5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide
SMILESCOc1ccc(I)cc1C(N)CC(C)CC(N)=O
InChIInChI=1S/C13H19IN2O2/c1-8(6-13(16)17)5-11(15)10-7-9(14)3-4-12(10)18-2/h3-4,7-8,11H,5-6,15H2,1-2H3,(H2,16,17)
InChIKeyZWFIGFCBBAGENA-UHFFFAOYSA-N
XLogP2.20
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.20
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

5-amino-5-(2-fluoro-4,5-dimethoxyphenyl)-3-methylpentanamide
CID 62942200
5-amino-5-(2-bromo-4,5-dimethoxyphenyl)-3-methylpentanamide
CID 62941461
5-amino-5-(3-bromo-4-methoxyphenyl)-3-methylpentanamide
CID 62941286
methyl 5-amino-5-(5-chloro-2-methoxyphenyl)-3-methylpentanoate
CID 113425500
5-amino-3-methyl-5-(2,3,4-trimethoxyphenyl)pentanoic acid
CID 62942194
3-amino-3-[2-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117350559
(3S)-3-amino-3-(2,3,4-trimethoxyphenyl)propanamide
CID 29059945
5-amino-5-(2-methoxy-5-methylphenyl)pentanamide
CID 54927575
5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid
CID 62941477
3-(5-chloro-2-methoxyphenyl)-5-methylhexanamide
CID 112509592
5-amino-3-methyl-5-(4-methylphenyl)pentanamide
CID 62934157
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide?
The IUPAC name of 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide (CID 62941644) is 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide.
What is the SMILES notation for 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide?
The canonical SMILES for 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide is COc1ccc(I)cc1C(N)CC(C)CC(N)=O.
What is the InChIKey of 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide?
The InChIKey is ZWFIGFCBBAGENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O2/c1-8(6-13(16)17)5-11(15)10-7-9(14)3-4-12(10)18-2/h3-4,7-8,11H,5-6,15H2,1-2H3,(H2,16,17).
What are the key properties of 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide?
5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide has a molecular weight of 362.21 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(5-iodo-2-methoxyphenyl)-3-methylpentanamide is sourced from PubChem (CID 62941644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).