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

C25H32N2O5 — CID 56774739

IUPACN-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide
SMILESCOc1ccccc1CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C25H32N2O5/c1-25(2,3)13-22(28)26-19-11-9-17(10-12-19)24(30)20-15-32-16-23(29)27(20)14-18-7-5-6-8-21(18)31-4/h5-12,20,24,30H,13-16H2,1-4H3,(H,26,28)/t20-,24-/m1/s1
InChIKeyOKDOBWKZRDDPHJ-HYBUGGRVSA-N
MW440.54 g/mol
LogP3.53
Rot. Bonds7

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

N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide (PubChem CID 56774739) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide
PubChem CID56774739
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC NameN-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide
SMILESCOc1ccccc1CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C25H32N2O5/c1-25(2,3)13-22(28)26-19-11-9-17(10-12-19)24(30)20-15-32-16-23(29)27(20)14-18-7-5-6-8-21(18)31-4/h5-12,20,24,30H,13-16H2,1-4H3,(H,26,28)/t20-,24-/m1/s1
InChIKeyOKDOBWKZRDDPHJ-HYBUGGRVSA-N
XLogP3.53
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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 N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide 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)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-3,3-dimethylbutanamide
CID 56774643
2-ethyl-N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]butanamide
CID 56774738
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-(pyridin-4-ylmethyl)morpholin-3-yl]methyl]phenyl]-2-methoxybenzamide
CID 56774799
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-[[4-(trifluoromethyl)phenyl]methyl]morpholin-3-yl]methyl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 56774818
N-[4-[(R)-[(3R)-4-[(2-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774659
N-[4-[(R)-[(3R)-4-benzyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-thiophen-2-ylacetamide
CID 56774607
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
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 N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide (CID 56774739) is N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide is COc1ccccc1CN1C(=O)COC[C@@H]1[C@H](O)c1ccc(NC(=O)CC(C)(C)C)cc1.
What is the InChIKey of N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide?
The InChIKey is OKDOBWKZRDDPHJ-HYBUGGRVSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-25(2,3)13-22(28)26-19-11-9-17(10-12-19)24(30)20-15-32-16-23(29)27(20)14-18-7-5-6-8-21(18)31-4/h5-12,20,24,30H,13-16H2,1-4H3,(H,26,28)/t20-,24-/m1/s1.
What are the key properties of N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide?
N-[4-[(R)-hydroxy-[(3R)-4-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide has a molecular weight of 440.54 g/mol, XLogP of 3.53, 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-[(2-methoxyphenyl)methyl]-5-oxomorpholin-3-yl]methyl]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 56774739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).