N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide

C19H19N3O3 — CID 8873669

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O3/c23-16(15-9-8-13-6-2-3-7-14(13)12-15)21-22-17(24)19(20-18(22)25)10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,25)(H,21,23)
InChIKeyOMKLRBJGGRBDNJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.74
Rot. Bonds2

About N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide (PubChem CID 8873669) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
PubChem CID8873669
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
SMILESO=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H19N3O3/c23-16(15-9-8-13-6-2-3-7-14(13)12-15)21-22-17(24)19(20-18(22)25)10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,25)(H,21,23)
InChIKeyOMKLRBJGGRBDNJ-UHFFFAOYSA-N
XLogP2.74
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide (CID 8873669) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide is O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide?
The InChIKey is OMKLRBJGGRBDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-16(15-9-8-13-6-2-3-7-14(13)12-15)21-22-17(24)19(20-18(22)25)10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,20,25)(H,21,23).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 8873669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).