N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide

C22H25N3O4 — CID 56774782

IUPACN-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)C1CCC1
InChIInChI=1S/C22H25N3O4/c26-20-14-29-13-19(25(20)12-18-6-1-2-11-23-18)21(27)15-7-9-17(10-8-15)24-22(28)16-4-3-5-16/h1-2,6-11,16,19,21,27H,3-5,12-14H2,(H,24,28)/t19-,21-/m1/s1
InChIKeyHBPAHSJSANHWNS-TZIWHRDSSA-N
MW395.46 g/mol
LogP2.28
Rot. Bonds6

About N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide

N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 56774782) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
PubChem CID56774782
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
SMILESO=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)C1CCC1
InChIInChI=1S/C22H25N3O4/c26-20-14-29-13-19(25(20)12-18-6-1-2-11-23-18)21(27)15-7-9-17(10-8-15)24-22(28)16-4-3-5-16/h1-2,6-11,16,19,21,27H,3-5,12-14H2,(H,24,28)/t19-,21-/m1/s1
InChIKeyHBPAHSJSANHWNS-TZIWHRDSSA-N
XLogP2.28
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide (CID 56774782) is N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide is O=C(Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccn2)cc1)C1CCC1.
What is the InChIKey of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is HBPAHSJSANHWNS-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-20-14-29-13-19(25(20)12-18-6-1-2-11-23-18)21(27)15-7-9-17(10-8-15)24-22(28)16-4-3-5-16/h1-2,6-11,16,19,21,27H,3-5,12-14H2,(H,24,28)/t19-,21-/m1/s1.
What are the key properties of N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 56774782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).