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

C17H23FN4O3 — CID 75305855

IUPACN-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CC1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C17H23FN4O3/c1-11-8-12(18)2-3-13(11)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,14-15,20H,4-7,9-10H2,1H3,(H,19,23)(H,21,24)
InChIKeySCGVFXNVZIARRO-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.56
Rot. Bonds4

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

N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305855) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305855
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCc1cc(F)ccc1NC(=O)CC1NC(=O)CC(N2CCOCC2)N1
InChIInChI=1S/C17H23FN4O3/c1-11-8-12(18)2-3-13(11)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,14-15,20H,4-7,9-10H2,1H3,(H,19,23)(H,21,24)
InChIKeySCGVFXNVZIARRO-UHFFFAOYSA-N
XLogP0.56
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305855) is N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is Cc1cc(F)ccc1NC(=O)CC1NC(=O)CC(N2CCOCC2)N1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is SCGVFXNVZIARRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-11-8-12(18)2-3-13(11)19-16(23)9-14-20-15(10-17(24)21-14)22-4-6-25-7-5-22/h2-3,8,14-15,20H,4-7,9-10H2,1H3,(H,19,23)(H,21,24).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 350.39 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).