2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide

C25H32N2O5 — CID 56774738

IUPAC2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2OC)cc1
InChIInChI=1S/C25H32N2O5/c1-4-17(5-2)25(30)26-20-12-10-18(11-13-20)24(29)21-15-32-16-23(28)27(21)14-19-8-6-7-9-22(19)31-3/h6-13,17,21,24,29H,4-5,14-16H2,1-3H3,(H,26,30)/t21-,24-/m1/s1
InChIKeyAUVZJIJJHCAXIF-ZJSXRUAMSA-N
MW440.54 g/mol
LogP3.53
Rot. Bonds9

About 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide

2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide (PubChem CID 56774738) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide
PubChem CID56774738
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Name2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2OC)cc1
InChIInChI=1S/C25H32N2O5/c1-4-17(5-2)25(30)26-20-12-10-18(11-13-20)24(29)21-15-32-16-23(28)27(21)14-19-8-6-7-9-22(19)31-3/h6-13,17,21,24,29H,4-5,14-16H2,1-3H3,(H,26,30)/t21-,24-/m1/s1
InChIKeyAUVZJIJJHCAXIF-ZJSXRUAMSA-N
XLogP3.53
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide with MolForge

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Related Compounds

N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-2-methoxyacetamide
CID 56774749
N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide
CID 56774739
N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide
CID 56774911
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide
CID 138990884
N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-methoxybenzamide
CID 56774920
N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide
CID 56774799
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-4-methoxybenzamide
CID 56774640
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3,3-dimethylbutanamide
CID 56774643
N-[4-[(R)-[(3R)-4-[(4-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 56774679
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774659
1-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3-phenylurea
CID 56774934
N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 138990882

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide (CID 56774738) is 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccccc2OC)cc1.
What is the InChIKey of 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide?
The InChIKey is AUVZJIJJHCAXIF-ZJSXRUAMSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-4-17(5-2)25(30)26-20-12-10-18(11-13-20)24(29)21-15-32-16-23(28)27(21)14-19-8-6-7-9-22(19)31-3/h6-13,17,21,24,29H,4-5,14-16H2,1-3H3,(H,26,30)/t21-,24-/m1/s1.
What are the key properties of 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide?
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide has a molecular weight of 440.54 g/mol, XLogP of 3.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide is sourced from PubChem (CID 56774738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).