N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H22N4O6 — CID 3600034

IUPACN-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C18H22N4O6/c1-11-5-3-4-8-18(11)16(24)21(17(25)20-18)10-15(23)19-13-7-6-12(22(26)27)9-14(13)28-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyXFFFSPLBFLGTFH-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.04
Rot. Bonds5

About N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 3600034) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID3600034
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC NameN-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O
InChIInChI=1S/C18H22N4O6/c1-11-5-3-4-8-18(11)16(24)21(17(25)20-18)10-15(23)19-13-7-6-12(22(26)27)9-14(13)28-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyXFFFSPLBFLGTFH-UHFFFAOYSA-N
XLogP2.04
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 3600034) is N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1cc([N+](=O)[O-])ccc1NC(=O)CN1C(=O)NC2(CCCCC2C)C1=O.
What is the InChIKey of N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is XFFFSPLBFLGTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c1-11-5-3-4-8-18(11)16(24)21(17(25)20-18)10-15(23)19-13-7-6-12(22(26)27)9-14(13)28-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,23)(H,20,25).
What are the key properties of N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 390.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-nitrophenyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 3600034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).