6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide

C18H22N2O4 — CID 126839955

IUPAC6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)c1cccc2cc(O)ccc12
InChIInChI=1S/C18H22N2O4/c21-14-4-5-16-13(10-14)2-1-3-17(16)18(23)19-11-15(22)12-20-6-8-24-9-7-20/h1-5,10,15,21-22H,6-9,11-12H2,(H,19,23)
InChIKeyIIZUMVKPCWEXKV-UHFFFAOYSA-N
MW330.38 g/mol
LogP0.97
Rot. Bonds5

About 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide

6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide (PubChem CID 126839955) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
PubChem CID126839955
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
SMILESO=C(NCC(O)CN1CCOCC1)c1cccc2cc(O)ccc12
InChIInChI=1S/C18H22N2O4/c21-14-4-5-16-13(10-14)2-1-3-17(16)18(23)19-11-15(22)12-20-6-8-24-9-7-20/h1-5,10,15,21-22H,6-9,11-12H2,(H,19,23)
InChIKeyIIZUMVKPCWEXKV-UHFFFAOYSA-N
XLogP0.97
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydroxy-N-(2-morpholin-4-ylethyl)naphthalene-1-carboxamide
CID 59995050
4-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzofuran-3-carboxamide
CID 126828439
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1-benzofuran-3-carboxamide
CID 97245650
N-(2-hydroxy-3-morpholin-4-ylpropyl)-1-benzothiophene-2-carboxamide
CID 110880623
2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
N-(2-hydroxy-3-morpholin-4-ylpropyl)indolizine-1-carboxamide
CID 154766043
2-(2,6-dichlorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)acetamide
CID 110880574
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
CID 141060612
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]naphthalene-1-carboxamide
CID 18168885
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-nitrobenzamide
CID 888968
2-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110441973
4-[[(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]phenol
CID 115572172

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide?
The IUPAC name of 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide (CID 126839955) is 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide is O=C(NCC(O)CN1CCOCC1)c1cccc2cc(O)ccc12.
What is the InChIKey of 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide?
The InChIKey is IIZUMVKPCWEXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-14-4-5-16-13(10-14)2-1-3-17(16)18(23)19-11-15(22)12-20-6-8-24-9-7-20/h1-5,10,15,21-22H,6-9,11-12H2,(H,19,23).
What are the key properties of 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide?
6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-N-(2-hydroxy-3-morpholin-4-ylpropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 126839955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).