N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

C16H18ClN3O4 — CID 2434061

IUPACN-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18ClN3O4/c1-24-12-5-4-10(17)8-11(12)18-13(21)9-20-14(22)16(19-15(20)23)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,21)(H,19,23)
InChIKeyBSHZEFNLROQDNS-UHFFFAOYSA-N
MW351.79 g/mol
LogP2.15
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (PubChem CID 2434061) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
PubChem CID2434061
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C16H18ClN3O4/c1-24-12-5-4-10(17)8-11(12)18-13(21)9-20-14(22)16(19-15(20)23)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,21)(H,19,23)
InChIKeyBSHZEFNLROQDNS-UHFFFAOYSA-N
XLogP2.15
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide (CID 2434061) is N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is COc1ccc(Cl)cc1NC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
The InChIKey is BSHZEFNLROQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-24-12-5-4-10(17)8-11(12)18-13(21)9-20-14(22)16(19-15(20)23)6-2-3-7-16/h4-5,8H,2-3,6-7,9H2,1H3,(H,18,21)(H,19,23).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide has a molecular weight of 351.79 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide is sourced from PubChem (CID 2434061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).