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

C23H29N3O4 — CID 138990884

IUPAC2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C23H29N3O4/c1-3-17(4-2)23(29)25-19-7-5-18(6-8-19)22(28)20-14-30-15-21(27)26(20)13-16-9-11-24-12-10-16/h5-12,17,20,22,28H,3-4,13-15H2,1-2H3,(H,25,29)/t20-,22-/m1/s1
InChIKeyBYKUOXPYBSSYJP-IFMALSPDSA-N
MW411.50 g/mol
LogP2.92
Rot. Bonds8

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

2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide (PubChem CID 138990884) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide
PubChem CID138990884
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1
InChIInChI=1S/C23H29N3O4/c1-3-17(4-2)23(29)25-19-7-5-18(6-8-19)22(28)20-14-30-15-21(27)26(20)13-16-9-11-24-12-10-16/h5-12,17,20,22,28H,3-4,13-15H2,1-2H3,(H,25,29)/t20-,22-/m1/s1
InChIKeyBYKUOXPYBSSYJP-IFMALSPDSA-N
XLogP2.92
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide with MolForge

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Related Compounds

N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide
CID 56774911
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide
CID 56774738
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-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyridine-3-carboxamide
CID 56774612
N-[4-[(R)-[(3R)-4-[(4-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]pyrazine-2-carboxamide
CID 56774683
2-ethyl-N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-2-yl]phenyl]butanamide
CID 71693450
N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
CID 56774607
N-[4-[(R)-hydroxy-[(3R)-4-[(4-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]cyclobutanecarboxamide
CID 138990882
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-[(4-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56774688
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-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774563

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide (CID 138990884) is 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc([C@@H](O)[C@H]2COCC(=O)N2Cc2ccncc2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide?
The InChIKey is BYKUOXPYBSSYJP-IFMALSPDSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-3-17(4-2)23(29)25-19-7-5-18(6-8-19)22(28)20-14-30-15-21(27)26(20)13-16-9-11-24-12-10-16/h5-12,17,20,22,28H,3-4,13-15H2,1-2H3,(H,25,29)/t20-,22-/m1/s1.
What are the key properties of 2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide?
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide has a molecular weight of 411.50 g/mol, XLogP of 2.92, 8 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)-5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]butanamide is sourced from PubChem (CID 138990884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).