N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide

C23H25FN2O4 — CID 56774659

IUPACN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)C1CCC1
InChIInChI=1S/C23H25FN2O4/c24-19-7-2-1-4-17(19)12-26-20(13-30-14-21(26)27)22(28)15-8-10-18(11-9-15)25-23(29)16-5-3-6-16/h1-2,4,7-11,16,20,22,28H,3,5-6,12-14H2,(H,25,29)/t20-,22-/m1/s1
InChIKeyUDYYASJJVKLSTL-IFMALSPDSA-N
MW412.46 g/mol
LogP3.03
Rot. Bonds6

About N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide

N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide (PubChem CID 56774659) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
PubChem CID56774659
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC NameN-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)C1CCC1
InChIInChI=1S/C23H25FN2O4/c24-19-7-2-1-4-17(19)12-26-20(13-30-14-21(26)27)22(28)15-8-10-18(11-9-15)25-23(29)16-5-3-6-16/h1-2,4,7-11,16,20,22,28H,3,5-6,12-14H2,(H,25,29)/t20-,22-/m1/s1
InChIKeyUDYYASJJVKLSTL-IFMALSPDSA-N
XLogP3.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide (CID 56774659) is N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2F)cc1)C1CCC1.
What is the InChIKey of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
The InChIKey is UDYYASJJVKLSTL-IFMALSPDSA-N. The full InChI is InChI=1S/C23H25FN2O4/c24-19-7-2-1-4-17(19)12-26-20(13-30-14-21(26)27)22(28)15-8-10-18(11-9-15)25-23(29)16-5-3-6-16/h1-2,4,7-11,16,20,22,28H,3,5-6,12-14H2,(H,25,29)/t20-,22-/m1/s1.
What are the key properties of N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide?
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide has a molecular weight of 412.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 56774659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).