N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide

C24H47IN2O2 — CID 138632657

IUPACN-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide
SMILESCN(I)C(C)(C)CCC(C)(C)N(C)C(=O)C(C)(C)CCC(C)(C)C(=O)C(C)(C)C
InChIInChI=1S/C24H47IN2O2/c1-20(2,3)18(28)21(4,5)14-15-22(6,7)19(29)26(12)23(8,9)16-17-24(10,11)27(13)25/h14-17H2,1-13H3
InChIKeyLYBIDOPJJBDJSB-UHFFFAOYSA-N
MW522.56 g/mol
LogP6.51
Rot. Bonds10

About N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide

N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide (PubChem CID 138632657) has the molecular formula C24H47IN2O2 and a molecular weight of 522.56 g/mol. Its IUPAC name is N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide.

Molecular Properties

Compound NameN-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide
PubChem CID138632657
Molecular FormulaC24H47IN2O2
Molecular Weight522.56 g/mol
Exact Mass522.27
IUPAC NameN-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide
SMILESCN(I)C(C)(C)CCC(C)(C)N(C)C(=O)C(C)(C)CCC(C)(C)C(=O)C(C)(C)C
InChIInChI=1S/C24H47IN2O2/c1-20(2,3)18(28)21(4,5)14-15-22(6,7)19(29)26(12)23(8,9)16-17-24(10,11)27(13)25/h14-17H2,1-13H3
InChIKeyLYBIDOPJJBDJSB-UHFFFAOYSA-N
XLogP6.51
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.56
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,2,2-trimethyl-N-(2-methylbutan-2-yl)propanamide
CID 63966651
2,2,4,4,7,7,9,9-octamethyl-8,8-bis(trifluoromethyl)decan-3-one
CID 138507634
1-fluoro-2,2,4,4-tetramethylpentan-3-one
CID 13238886
4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
CID 129136804
N-tert-butyl-N,2,2-trimethylpropanamide;bis(2,2-dimethylpropane);methane;2,2,4,4-tetramethylpentan-3-one
CID 158424293
3-hydroxy-N,N,2,2-tetramethylpropanamide
CID 10510973
N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87313202
N-(iodomethyl)-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 130443735
1-(ethylamino)-2,2,4,4-tetramethylpentan-3-one
CID 89032532
N-tert-butyl-N-cyclopropyl-5-[2,2-dimethylpropanoyl(ethyl)amino]-2,2,5-trimethylhexanamide
CID 146435794
[4-[carboxy(methyl)amino]-2,4-dimethylpentan-2-yl]-methylcarbamic acid
CID 88887807
3,3-diiodo-N,N-dimethyl-2-oxobutanamide
CID 155470286

Frequently Asked Questions

What is the IUPAC name of N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide?
The IUPAC name of N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide (CID 138632657) is N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide.
What is the SMILES notation for N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide?
The canonical SMILES for N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide is CN(I)C(C)(C)CCC(C)(C)N(C)C(=O)C(C)(C)CCC(C)(C)C(=O)C(C)(C)C.
What is the InChIKey of N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide?
The InChIKey is LYBIDOPJJBDJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47IN2O2/c1-20(2,3)18(28)21(4,5)14-15-22(6,7)19(29)26(12)23(8,9)16-17-24(10,11)27(13)25/h14-17H2,1-13H3.
What are the key properties of N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide?
N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide has a molecular weight of 522.56 g/mol, XLogP of 6.51, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[iodo(methyl)amino]-2,5-dimethylhexan-2-yl]-N,2,2,5,5,7,7-heptamethyl-6-oxooctanamide is sourced from PubChem (CID 138632657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).