pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate

C20H23N3O5 — CID 142176899

IUPACpyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate
SMILESO=C(CN1CCOC(CNC(=O)c2ccc(O)cc2)C1)OCc1ccncc1
InChIInChI=1S/C20H23N3O5/c24-17-3-1-16(2-4-17)20(26)22-11-18-12-23(9-10-27-18)13-19(25)28-14-15-5-7-21-8-6-15/h1-8,18,24H,9-14H2,(H,22,26)
InChIKeyNVESFBVHJZGZLX-UHFFFAOYSA-N
MW385.42 g/mol
LogP0.96
Rot. Bonds7

About pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate

pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate (PubChem CID 142176899) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate.

Molecular Properties

Compound Namepyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate
PubChem CID142176899
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Namepyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate
SMILESO=C(CN1CCOC(CNC(=O)c2ccc(O)cc2)C1)OCc1ccncc1
InChIInChI=1S/C20H23N3O5/c24-17-3-1-16(2-4-17)20(26)22-11-18-12-23(9-10-27-18)13-19(25)28-14-15-5-7-21-8-6-15/h1-8,18,24H,9-14H2,(H,22,26)
InChIKeyNVESFBVHJZGZLX-UHFFFAOYSA-N
XLogP0.96
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-benzylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 43019906
(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 58933856
4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]benzohydrazide
CID 174900344
(4-fluorophenyl)methyl (7R)-7-[[(4-hydroxybenzoyl)amino]methyl]-1,4-oxazepane-4-carboxylate
CID 58933863
(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 58933722
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
N-[(4-benzylmorpholin-2-yl)methyl]-4-fluorobenzamide
CID 46522835
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
3-ethoxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46581199
N-[(4-benzylmorpholin-2-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 42886737
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24625208

Frequently Asked Questions

What is the IUPAC name of pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate?
The IUPAC name of pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate (CID 142176899) is pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate.
What is the SMILES notation for pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate?
The canonical SMILES for pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate is O=C(CN1CCOC(CNC(=O)c2ccc(O)cc2)C1)OCc1ccncc1.
What is the InChIKey of pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate?
The InChIKey is NVESFBVHJZGZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O5/c24-17-3-1-16(2-4-17)20(26)22-11-18-12-23(9-10-27-18)13-19(25)28-14-15-5-7-21-8-6-15/h1-8,18,24H,9-14H2,(H,22,26).
What are the key properties of pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate?
pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate has a molecular weight of 385.42 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate is sourced from PubChem (CID 142176899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).