N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

C16H21IN4O3 — CID 77162305

IUPACN-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc(I)c1
InChIInChI=1S/C16H21IN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,13-14,19H,4-7,9-10H2,(H,18,22)(H,20,23)
InChIKeyKWFPLKNDNRBMNH-UHFFFAOYSA-N
MW444.27 g/mol
LogP0.71
Rot. Bonds4

About N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 77162305) has the molecular formula C16H21IN4O3 and a molecular weight of 444.27 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID77162305
Molecular FormulaC16H21IN4O3
Molecular Weight444.27 g/mol
Exact Mass444.07
IUPAC NameN-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc(I)c1
InChIInChI=1S/C16H21IN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,13-14,19H,4-7,9-10H2,(H,18,22)(H,20,23)
InChIKeyKWFPLKNDNRBMNH-UHFFFAOYSA-N
XLogP0.71
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 77162305) is N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is O=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is KWFPLKNDNRBMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21IN4O3/c17-11-2-1-3-12(8-11)18-15(22)9-13-19-14(10-16(23)20-13)21-4-6-24-7-5-21/h1-3,8,13-14,19H,4-7,9-10H2,(H,18,22)(H,20,23).
What are the key properties of N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 444.27 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 77162305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).