N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide

C15H22INO — CID 107859920

IUPACN-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
SMILESCC(C)C(CI)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22INO/c1-11(2)13(10-16)17-14(18)15(3,4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,18)
InChIKeyYYWIMKNMBBEMKL-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.54
Rot. Bonds5

About N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide

N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide (PubChem CID 107859920) has the molecular formula C15H22INO and a molecular weight of 359.25 g/mol. Its IUPAC name is N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide.

Molecular Properties

Compound NameN-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
PubChem CID107859920
Molecular FormulaC15H22INO
Molecular Weight359.25 g/mol
Exact Mass359.07
IUPAC NameN-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
SMILESCC(C)C(CI)NC(=O)C(C)(C)c1ccccc1
InChIInChI=1S/C15H22INO/c1-11(2)13(10-16)17-14(18)15(3,4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,18)
InChIKeyYYWIMKNMBBEMKL-UHFFFAOYSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106355073
N-(1-amino-4-methylpentan-3-yl)-2-methyl-2-phenylpropanamide
CID 106356684
N-(1-aminopropan-2-yl)-2-methyl-2-phenylpropanamide
CID 63731541
2-methyl-N-(3-oxopentan-2-yl)-2-phenylpropanamide
CID 64991894
N-(4-bromo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide
CID 113485062
2-methyl-N-[1-oxo-1-(propylamino)propan-2-yl]-2-phenylpropanamide
CID 46420935
3-methoxy-2-[(2-methyl-2-phenylpropanoyl)amino]propanoic acid
CID 81076781
2-methyl-2-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730656
2-methyl-2-phenyl-N-[2-(propan-2-ylamino)ethyl]propanamide
CID 62659574
N-[(2R)-2-(ethylamino)propyl]-2-methyl-2-phenylpropanamide;hydrochloride
CID 120653206
methyl 4-hydroxy-2-[(2-methyl-2-phenylpropanoyl)amino]butanoate
CID 171833084
N-[(2-methyl-2-phenylpropanoyl)amino]formamide
CID 71020555

Frequently Asked Questions

What is the IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide?
The IUPAC name of N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide (CID 107859920) is N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide.
What is the SMILES notation for N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide?
The canonical SMILES for N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide is CC(C)C(CI)NC(=O)C(C)(C)c1ccccc1.
What is the InChIKey of N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide?
The InChIKey is YYWIMKNMBBEMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22INO/c1-11(2)13(10-16)17-14(18)15(3,4)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3,(H,17,18).
What are the key properties of N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide?
N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide has a molecular weight of 359.25 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iodo-3-methylbutan-2-yl)-2-methyl-2-phenylpropanamide is sourced from PubChem (CID 107859920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).