methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate

C16H22N2O5 — CID 122565746

IUPACmethyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1cc(O)cc(C(=O)NC(C)CN2CCOCC2)c1
InChIInChI=1S/C16H22N2O5/c1-11(10-18-3-5-23-6-4-18)17-15(20)12-7-13(16(21)22-2)9-14(19)8-12/h7-9,11,19H,3-6,10H2,1-2H3,(H,17,20)
InChIKeyZAFJNISOEHFKKB-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.63
Rot. Bonds5

About methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate

methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate (PubChem CID 122565746) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate
PubChem CID122565746
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namemethyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate
SMILESCOC(=O)c1cc(O)cc(C(=O)NC(C)CN2CCOCC2)c1
InChIInChI=1S/C16H22N2O5/c1-11(10-18-3-5-23-6-4-18)17-15(20)12-7-13(16(21)22-2)9-14(19)8-12/h7-9,11,19H,3-6,10H2,1-2H3,(H,17,20)
InChIKeyZAFJNISOEHFKKB-UHFFFAOYSA-N
XLogP0.63
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dihydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 107703759
3-hydroxy-4-iodo-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 104627716
2-chloro-5-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 106501557
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
3-bromo-4-ethoxy-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715764
4-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499910
1-(2-methoxyethyl)-N-(1-morpholin-4-ylpropan-2-yl)-6-oxopyridine-3-carboxamide
CID 55883209
methyl 3-hydroxy-5-(2-morpholin-4-ylethylamino)benzoate
CID 163959263
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 55715703
1-methoxy-N-(1-morpholin-4-ylpropan-2-yl)isoquinoline-3-carboxamide
CID 51095427
4-(2-cyclopropyl-2-oxoethoxy)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 95763360
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 94129990

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate?
The IUPAC name of methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate (CID 122565746) is methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate.
What is the SMILES notation for methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate?
The canonical SMILES for methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate is COC(=O)c1cc(O)cc(C(=O)NC(C)CN2CCOCC2)c1.
What is the InChIKey of methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate?
The InChIKey is ZAFJNISOEHFKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-11(10-18-3-5-23-6-4-18)17-15(20)12-7-13(16(21)22-2)9-14(19)8-12/h7-9,11,19H,3-6,10H2,1-2H3,(H,17,20).
What are the key properties of methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate?
methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate has a molecular weight of 322.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-5-(1-morpholin-4-ylpropan-2-ylcarbamoyl)benzoate is sourced from PubChem (CID 122565746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).