N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C18H36INO3 — CID 170276011

IUPACN-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(I)CC(C)(C)OCCC(C)(C)NC(=O)COC(C)(C)C
InChIInChI=1S/C18H36INO3/c1-15(2,3)23-12-14(21)20-17(6,7)10-11-22-18(8,9)13-16(4,5)19/h10-13H2,1-9H3,(H,20,21)
InChIKeyMFGZOIOMVKYHDJ-UHFFFAOYSA-N
MW441.39 g/mol
LogP4.49
Rot. Bonds9

About N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 170276011) has the molecular formula C18H36INO3 and a molecular weight of 441.39 g/mol. Its IUPAC name is N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID170276011
Molecular FormulaC18H36INO3
Molecular Weight441.39 g/mol
Exact Mass441.17
IUPAC NameN-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCC(C)(I)CC(C)(C)OCCC(C)(C)NC(=O)COC(C)(C)C
InChIInChI=1S/C18H36INO3/c1-15(2,3)23-12-14(21)20-17(6,7)10-11-22-18(8,9)13-16(4,5)19/h10-13H2,1-9H3,(H,20,21)
InChIKeyMFGZOIOMVKYHDJ-UHFFFAOYSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]acetamide
CID 123807188
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
N-[4-(4-butoxy-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-2-(3-butoxy-3-methylbutoxy)acetamide
CID 143784438
N-[2-methyl-4-(2-methylbutan-2-yloxy)butan-2-yl]acetamide
CID 88555245
1-[4-(4-iodo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]-3-methylurea
CID 144955514
ethyl N-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]carbamate
CID 122544664
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
N-[2-methyl-4-(2-methylpentan-2-yloxy)butan-2-yl]acetamide;propane
CID 144742441
2-[(2-methylpropan-2-yl)oxy]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 134170006
N-[4-(4-bromo-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]pent-4-ynamide
CID 145419732
4-methyl-4-[3-methyl-3-(pent-4-ynoylamino)butoxy]pentanoic acid
CID 145419739
N-[4-(2,5-dimethylhexan-2-yloxy)-2-methylbutan-2-yl]acetamide
CID 139539922

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 170276011) is N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is CC(C)(I)CC(C)(C)OCCC(C)(C)NC(=O)COC(C)(C)C.
What is the InChIKey of N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is MFGZOIOMVKYHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36INO3/c1-15(2,3)23-12-14(21)20-17(6,7)10-11-22-18(8,9)13-16(4,5)19/h10-13H2,1-9H3,(H,20,21).
What are the key properties of N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 441.39 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-iodo-2,4-dimethylpentan-2-yl)oxy-2-methylbutan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 170276011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).