2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate

C18H20N2O5 — CID 57205896

IUPAC2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate
SMILESNC(=O)c1c(O)c(C(=O)OCCN2CCOCC2)cc2ccccc12
InChIInChI=1S/C18H20N2O5/c19-17(22)15-13-4-2-1-3-12(13)11-14(16(15)21)18(23)25-10-7-20-5-8-24-9-6-20/h1-4,11,21H,5-10H2,(H2,19,22)
InChIKeyZYDHWQJOIHQGPA-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.13
Rot. Bonds5

About 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate

2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate (PubChem CID 57205896) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate
PubChem CID57205896
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate
SMILESNC(=O)c1c(O)c(C(=O)OCCN2CCOCC2)cc2ccccc12
InChIInChI=1S/C18H20N2O5/c19-17(22)15-13-4-2-1-3-12(13)11-14(16(15)21)18(23)25-10-7-20-5-8-24-9-6-20/h1-4,11,21H,5-10H2,(H2,19,22)
InChIKeyZYDHWQJOIHQGPA-UHFFFAOYSA-N
XLogP1.13
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
CID 54469991
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 153402720
2-(4-methylpiperazin-1-yl)ethyl naphthalene-1-carboxylate
CID 171343955
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
1-dodeca-2,4,6,9,11-pentaen-2-yl-3-(2-morpholin-4-ylethoxy)naphthalene-2-carboxamide
CID 146371397
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
1-(1,3-benzothiazol-2-yl)-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146346236
1-dodeca-1,4,6,8,11-pentaen-4-yl-3-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 146371385
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18967

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate (CID 57205896) is 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate is NC(=O)c1c(O)c(C(=O)OCCN2CCOCC2)cc2ccccc12.
What is the InChIKey of 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate?
The InChIKey is ZYDHWQJOIHQGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c19-17(22)15-13-4-2-1-3-12(13)11-14(16(15)21)18(23)25-10-7-20-5-8-24-9-6-20/h1-4,11,21H,5-10H2,(H2,19,22).
What are the key properties of 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate?
2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-carbamoyl-3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 57205896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).