N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide

C19H21NO4 — CID 124883194

IUPACN-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide
SMILESO=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(O)c2ccccc2c1
InChIInChI=1S/C19H21NO4/c21-17-10-14(9-13-3-1-2-4-16(13)17)18(22)20-15-5-7-24-19(11-15)6-8-23-12-19/h1-4,9-10,15,21H,5-8,11-12H2,(H,20,22)/t15-,19-/m1/s1
InChIKeySPDMTMCDLMHTSB-DNVCBOLYSA-N
MW327.38 g/mol
LogP2.61
Rot. Bonds2

About N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide

N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide (PubChem CID 124883194) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide
PubChem CID124883194
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide
SMILESO=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(O)c2ccccc2c1
InChIInChI=1S/C19H21NO4/c21-17-10-14(9-13-3-1-2-4-16(13)17)18(22)20-15-5-7-24-19(11-15)6-8-23-12-19/h1-4,9-10,15,21H,5-8,11-12H2,(H,20,22)/t15-,19-/m1/s1
InChIKeySPDMTMCDLMHTSB-DNVCBOLYSA-N
XLogP2.61
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,6-N-bis(2,6-dioxaspiro[4.5]decan-9-yl)pyridine-2,6-dicarboxamide
CID 166196304
3-[[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]carbamoyl]-5-methylbenzoic acid
CID 129468061
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-9-oxo-10H-acridine-2-carboxamide
CID 127984291
1-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-3-(3-phenylcyclobutyl)urea
CID 124887284
2-[2-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)phenyl]sulfanylpropanoic acid
CID 120695926
5-(2,6-dioxaspiro[4.5]decan-9-ylcarbamoyl)pyrazine-2-carboxylic acid
CID 120695909
1-(2,5-dimethylphenyl)-3-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]urea
CID 97255707
N-[(5R,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 97255507
N-[(4R)-1,9-dioxaspiro[5.5]undecan-4-yl]-2,5-difluorobenzamide
CID 99972757
3-chloro-5-fluoro-4-hydroxy-N-(5-oxaspiro[3.5]nonan-8-yl)benzamide
CID 136537063
N-(5-oxaspiro[3.5]nonan-8-yl)-1H-indole-6-carboxamide
CID 166225824
N-[(5S,9S)-2,6-dioxaspiro[4.5]decan-9-yl]-2-(thiophene-2-carbonylamino)thiophene-3-carboxamide
CID 97255662

Frequently Asked Questions

What is the IUPAC name of N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide (CID 124883194) is N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide is O=C(N[C@@H]1CCO[C@]2(CCOC2)C1)c1cc(O)c2ccccc2c1.
What is the InChIKey of N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide?
The InChIKey is SPDMTMCDLMHTSB-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-17-10-14(9-13-3-1-2-4-16(13)17)18(22)20-15-5-7-24-19(11-15)6-8-23-12-19/h1-4,9-10,15,21H,5-8,11-12H2,(H,20,22)/t15-,19-/m1/s1.
What are the key properties of N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide?
N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,9R)-2,6-dioxaspiro[4.5]decan-9-yl]-4-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 124883194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).