N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide

C24H28N2O5 — CID 138990882

IUPACN-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
SMILESCOc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)C3CCC3)cc2)cc1
InChIInChI=1S/C24H28N2O5/c1-30-20-11-5-16(6-12-20)13-26-21(14-31-15-22(26)27)23(28)17-7-9-19(10-8-17)25-24(29)18-3-2-4-18/h5-12,18,21,23,28H,2-4,13-15H2,1H3,(H,25,29)/t21-,23-/m1/s1
InChIKeyYEMZBWOVVLWDJT-FYYLOGMGSA-N
MW424.50 g/mol
LogP2.89
Rot. Bonds7

About N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide

N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide (PubChem CID 138990882) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
PubChem CID138990882
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC NameN-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
SMILESCOc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)C3CCC3)cc2)cc1
InChIInChI=1S/C24H28N2O5/c1-30-20-11-5-16(6-12-20)13-26-21(14-31-15-22(26)27)23(28)17-7-9-19(10-8-17)25-24(29)18-3-2-4-18/h5-12,18,21,23,28H,2-4,13-15H2,1H3,(H,25,29)/t21-,23-/m1/s1
InChIKeyYEMZBWOVVLWDJT-FYYLOGMGSA-N
XLogP2.89
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774563
N-[4-[(R)-[(3R)-4-[(4-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 56774679
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 56774818
N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774633
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774659
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-2-ylmethyl)morpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 56774782
N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 56774899
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide
CID 56774640
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide
CID 56774799
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide
CID 138990884
N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-2-methoxyacetamide
CID 56774749
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide
CID 56774738

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide (CID 138990882) is N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide is COc1ccc(CN2C(=O)COC[C@@H]2[C@H](O)c2ccc(NC(=O)C3CCC3)cc2)cc1.
What is the InChIKey of N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
The InChIKey is YEMZBWOVVLWDJT-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-30-20-11-5-16(6-12-20)13-26-21(14-31-15-22(26)27)23(28)17-7-9-19(10-8-17)25-24(29)18-3-2-4-18/h5-12,18,21,23,28H,2-4,13-15H2,1H3,(H,25,29)/t21-,23-/m1/s1.
What are the key properties of N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide?
N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.89, 7 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)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 138990882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).