5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide

C21H25N3O5 — CID 175361503

IUPAC5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2C2CNCCO2)cc1O
InChIInChI=1S/C21H25N3O5/c1-13(25)24-15-4-5-16(20-12-22-7-8-29-20)17(10-15)21(27)23-11-14-3-6-19(28-2)18(26)9-14/h3-6,9-10,20,22,26H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyOQWKOCDKGSRABZ-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.95
Rot. Bonds6

About 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide

5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide (PubChem CID 175361503) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide.

Molecular Properties

Compound Name5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide
PubChem CID175361503
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2C2CNCCO2)cc1O
InChIInChI=1S/C21H25N3O5/c1-13(25)24-15-4-5-16(20-12-22-7-8-29-20)17(10-15)21(27)23-11-14-3-6-19(28-2)18(26)9-14/h3-6,9-10,20,22,26H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyOQWKOCDKGSRABZ-UHFFFAOYSA-N
XLogP1.95
TPSA108.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-nitro-2-piperazin-2-ylbenzamide
CID 175361506
5-acetamido-N-benzyl-2-methoxybenzamide
CID 110764462
(2S)-N-[(3,4,5-trimethoxyphenyl)methyl]morpholine-2-carboxamide
CID 99943698
N-[3-[(3,4-dimethoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38167581
N-[3-chloro-4-[(2R)-morpholin-2-yl]phenyl]-2-ethoxypyridine-4-carboxamide
CID 71086784
2-(3-bromo-2,4-dimethoxyphenyl)morpholine
CID 117486500
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
N-(3-chloro-4-morpholin-2-ylphenyl)-6-ethoxypyridine-3-carboxamide;hydrochloride
CID 71086852
(5R)-N-[(3-hydroxy-4-methoxyphenyl)methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94605167
2-(2-methoxy-5-pentan-3-ylphenyl)morpholine
CID 117413429
N-[(4-acetamidophenyl)methyl]-2-(5-acetyl-2-methoxyphenyl)acetamide
CID 18154107
2-chloro-5-[(3-hydroxy-4-methoxyphenyl)methylamino]benzamide
CID 43713494

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide?
The IUPAC name of 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide (CID 175361503) is 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide.
What is the SMILES notation for 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide?
The canonical SMILES for 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide is COc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2C2CNCCO2)cc1O.
What is the InChIKey of 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide?
The InChIKey is OQWKOCDKGSRABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-13(25)24-15-4-5-16(20-12-22-7-8-29-20)17(10-15)21(27)23-11-14-3-6-19(28-2)18(26)9-14/h3-6,9-10,20,22,26H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide?
5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide has a molecular weight of 399.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-morpholin-2-ylbenzamide is sourced from PubChem (CID 175361503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).