4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide

C12H21IN2O2 — CID 88963400

IUPAC4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCOCC1)C1CCC(NI)CC1
InChIInChI=1S/C12H21IN2O2/c13-15-11-3-1-9(2-4-11)12(16)14-10-5-7-17-8-6-10/h9-11,15H,1-8H2,(H,14,16)
InChIKeyUWTJZHJTISEWPP-UHFFFAOYSA-N
MW352.22 g/mol
LogP1.78
Rot. Bonds3

About 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide

4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide (PubChem CID 88963400) has the molecular formula C12H21IN2O2 and a molecular weight of 352.22 g/mol. Its IUPAC name is 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
PubChem CID88963400
Molecular FormulaC12H21IN2O2
Molecular Weight352.22 g/mol
Exact Mass352.06
IUPAC Name4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide
SMILESO=C(NC1CCOCC1)C1CCC(NI)CC1
InChIInChI=1S/C12H21IN2O2/c13-15-11-3-1-9(2-4-11)12(16)14-10-5-7-17-8-6-10/h9-11,15H,1-8H2,(H,14,16)
InChIKeyUWTJZHJTISEWPP-UHFFFAOYSA-N
XLogP1.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 51.78
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide (CID 88963400) is 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide is O=C(NC1CCOCC1)C1CCC(NI)CC1.
What is the InChIKey of 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
The InChIKey is UWTJZHJTISEWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IN2O2/c13-15-11-3-1-9(2-4-11)12(16)14-10-5-7-17-8-6-10/h9-11,15H,1-8H2,(H,14,16).
What are the key properties of 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide?
4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide has a molecular weight of 352.22 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodoamino)-N-(oxan-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 88963400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).