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

C18H22N4O5 — CID 4797043

IUPAC2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H22N4O5/c1-11-6-3-4-9-18(11)16(24)21(17(25)20-18)10-15(23)19-13-7-5-8-14(12(13)2)22(26)27/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyIHJAFDWRMDFCRG-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.34
Rot. Bonds4

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

2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide (PubChem CID 4797043) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide
PubChem CID4797043
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide
SMILESCc1c(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C18H22N4O5/c1-11-6-3-4-9-18(11)16(24)21(17(25)20-18)10-15(23)19-13-7-5-8-14(12(13)2)22(26)27/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyIHJAFDWRMDFCRG-UHFFFAOYSA-N
XLogP2.34
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The IUPAC name of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide (CID 4797043) is 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide.
What is the SMILES notation for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The canonical SMILES for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide is Cc1c(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cccc1[N+](=O)[O-].
What is the InChIKey of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
The InChIKey is IHJAFDWRMDFCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-11-6-3-4-9-18(11)16(24)21(17(25)20-18)10-15(23)19-13-7-5-8-14(12(13)2)22(26)27/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,19,23)(H,20,25).
What are the key properties of 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide?
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide has a molecular weight of 374.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methyl-3-nitrophenyl)acetamide is sourced from PubChem (CID 4797043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).