6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide

C13H23IN2O3 — CID 174947831

IUPAC6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide
SMILESCC(C)[C@@H](C=O)NC(=O)CCCCCNC(=O)CI
InChIInChI=1S/C13H23IN2O3/c1-10(2)11(9-17)16-12(18)6-4-3-5-7-15-13(19)8-14/h9-11H,3-8H2,1-2H3,(H,15,19)(H,16,18)/t11-/m1/s1
InChIKeyLAUJSAOBYFVKEL-LLVKDONJSA-N
MW382.24 g/mol
LogP1.44
Rot. Bonds10

About 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide

6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide (PubChem CID 174947831) has the molecular formula C13H23IN2O3 and a molecular weight of 382.24 g/mol. Its IUPAC name is 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide.

Molecular Properties

Compound Name6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide
PubChem CID174947831
Molecular FormulaC13H23IN2O3
Molecular Weight382.24 g/mol
Exact Mass382.08
IUPAC Name6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide
SMILESCC(C)[C@@H](C=O)NC(=O)CCCCCNC(=O)CI
InChIInChI=1S/C13H23IN2O3/c1-10(2)11(9-17)16-12(18)6-4-3-5-7-15-13(19)8-14/h9-11H,3-8H2,1-2H3,(H,15,19)(H,16,18)/t11-/m1/s1
InChIKeyLAUJSAOBYFVKEL-LLVKDONJSA-N
XLogP1.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methyl-1-oxobutan-2-yl)hexadecanamide
CID 90757264
6-(3,3-dimethyl-2,4-dioxoazetidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 144706621
5-[(2-iodoacetyl)amino]pentanoic acid
CID 3080900
N-(6-acetamidohexyl)-2-iodoacetamide
CID 89340654
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
6-formamido-N-pentan-3-ylhexanamide
CID 177031400
N-(6,6-dihydroxy-5-methylhexyl)-2-iodoacetamide
CID 138744973
N-(6-aminohexyl)-2-iodoacetamide
CID 129106348
N-[2-[(1-hydroxy-2-methylpropyl)amino]ethyl]-2-iodoacetamide
CID 138614680
2-iodo-N-[(5S)-5-[(2-iodoacetyl)amino]-6-oxoheptyl]acetamide
CID 118136970
6-(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 145323285

Frequently Asked Questions

What is the IUPAC name of 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide?
The IUPAC name of 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide (CID 174947831) is 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide.
What is the SMILES notation for 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide?
The canonical SMILES for 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide is CC(C)[C@@H](C=O)NC(=O)CCCCCNC(=O)CI.
What is the InChIKey of 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide?
The InChIKey is LAUJSAOBYFVKEL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23IN2O3/c1-10(2)11(9-17)16-12(18)6-4-3-5-7-15-13(19)8-14/h9-11H,3-8H2,1-2H3,(H,15,19)(H,16,18)/t11-/m1/s1.
What are the key properties of 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide?
6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide has a molecular weight of 382.24 g/mol, XLogP of 1.44, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-iodoacetyl)amino]-N-[(2S)-3-methyl-1-oxobutan-2-yl]hexanamide is sourced from PubChem (CID 174947831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).