N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide

C12H22INO2 — CID 107322368

IUPACN-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCCCCCI)CCC1
InChIInChI=1S/C12H22INO2/c1-16-12(6-5-7-12)10-11(15)14-9-4-2-3-8-13/h2-10H2,1H3,(H,14,15)
InChIKeyUEVGMUCJRMAQCZ-UHFFFAOYSA-N
MW339.22 g/mol
LogP2.67
Rot. Bonds8

About N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide

N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 107322368) has the molecular formula C12H22INO2 and a molecular weight of 339.22 g/mol. Its IUPAC name is N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID107322368
Molecular FormulaC12H22INO2
Molecular Weight339.22 g/mol
Exact Mass339.07
IUPAC NameN-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCCCCCI)CCC1
InChIInChI=1S/C12H22INO2/c1-16-12(6-5-7-12)10-11(15)14-9-4-2-3-8-13/h2-10H2,1H3,(H,14,15)
InChIKeyUEVGMUCJRMAQCZ-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
N-[(1-ethylcyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047801
N-(3-hydroxy-2,2-dimethylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525804
2-(1-methoxycyclobutyl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486968
N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 114147613
N-[(3-chlorocyclopentyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 106126458
methyl 2-bromo-3-[[2-(1-methoxycyclobutyl)acetyl]amino]propanoate
CID 103558349
N-(3-bromo-2-methylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558264
N-(5-bromo-2,2-dimethylpentyl)-2-(1-methoxycyclobutyl)acetamide
CID 106145015
N-(3-amino-3-phenylpropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557357
N-[2-(aminomethyl)-2-ethylbutyl]-2-(1-methoxycyclobutyl)acetamide
CID 106250600
N-(2-bromopentyl)-2-(1-methoxycyclobutyl)acetamide
CID 103558313

Frequently Asked Questions

What is the IUPAC name of N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide (CID 107322368) is N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCCCCCI)CCC1.
What is the InChIKey of N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is UEVGMUCJRMAQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22INO2/c1-16-12(6-5-7-12)10-11(15)14-9-4-2-3-8-13/h2-10H2,1H3,(H,14,15).
What are the key properties of N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide?
N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 339.22 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodopentyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 107322368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).