N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

C18H25FN4O4 — CID 75305921

IUPACN-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCOCc1cc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)ccc1F
InChIInChI=1S/C18H25FN4O4/c1-26-11-12-8-13(2-3-14(12)19)20-17(24)9-15-21-16(10-18(25)22-15)23-4-6-27-7-5-23/h2-3,8,15-16,21H,4-7,9-11H2,1H3,(H,20,24)(H,22,25)
InChIKeyYYCARQFTIRGDAR-UHFFFAOYSA-N
MW380.42 g/mol
LogP0.39
Rot. Bonds6

About N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 75305921) has the molecular formula C18H25FN4O4 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID75305921
Molecular FormulaC18H25FN4O4
Molecular Weight380.42 g/mol
Exact Mass380.19
IUPAC NameN-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCOCc1cc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)ccc1F
InChIInChI=1S/C18H25FN4O4/c1-26-11-12-8-13(2-3-14(12)19)20-17(24)9-15-21-16(10-18(25)22-15)23-4-6-27-7-5-23/h2-3,8,15-16,21H,4-7,9-11H2,1H3,(H,20,24)(H,22,25)
InChIKeyYYCARQFTIRGDAR-UHFFFAOYSA-N
XLogP0.39
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[4-(1-Acetylpiperidin-4-yl)oxypiperidin-1-yl]-2-fluorophenyl]methyl 3-amino-3-iminopropanoate
CID 134819752
N-(3-cyano-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305830
N-(4-fluoro-2-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305855
N-(2-fluoro-3-methylphenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305859
N-(3-cyclopropyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305885
N-[3-(difluoromethyl)-4-fluorophenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305959
N-(3-ethynyl-4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75306002
Methyl 5-fluoro-2-[[2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetyl]amino]benzoate
CID 75306215
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 77162336
N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 127053700
N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 127053702
2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 77162156

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 75305921) is N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is COCc1cc(NC(=O)CC2NC(=O)CC(N3CCOCC3)N2)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is YYCARQFTIRGDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O4/c1-26-11-12-8-13(2-3-14(12)19)20-17(24)9-15-21-16(10-18(25)22-15)23-4-6-27-7-5-23/h2-3,8,15-16,21H,4-7,9-11H2,1H3,(H,20,24)(H,22,25).
What are the key properties of N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 380.42 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(methoxymethyl)phenyl]-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 75305921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).