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

C19H25FN4O3 — CID 75305885

IUPACN-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C19H25FN4O3/c20-15-4-3-13(9-14(15)12-1-2-12)21-18(25)10-16-22-17(11-19(26)23-16)24-5-7-27-8-6-24/h3-4,9,12,16-17,22H,1-2,5-8,10-11H2,(H,21,25)(H,23,26)
InChIKeySIMGRAWQFOSNCH-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.13
Rot. Bonds5

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

N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305885) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305885
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC NameN-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESO=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C19H25FN4O3/c20-15-4-3-13(9-14(15)12-1-2-12)21-18(25)10-16-22-17(11-19(26)23-16)24-5-7-27-8-6-24/h3-4,9,12,16-17,22H,1-2,5-8,10-11H2,(H,21,25)(H,23,26)
InChIKeySIMGRAWQFOSNCH-UHFFFAOYSA-N
XLogP1.13
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305885) is N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is O=C(CC1NC(=O)CC(N2CCOCC2)N1)Nc1ccc(F)c(C2CC2)c1.
What is the InChIKey of N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is SIMGRAWQFOSNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c20-15-4-3-13(9-14(15)12-1-2-12)21-18(25)10-16-22-17(11-19(26)23-16)24-5-7-27-8-6-24/h3-4,9,12,16-17,22H,1-2,5-8,10-11H2,(H,21,25)(H,23,26).
What are the key properties of N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 376.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).