4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide

C19H23N5O5 — CID 16960910

IUPAC4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2=O
InChIInChI=1S/C19H23N5O5/c1-11-6-8-19(9-7-11)17(26)23(18(27)21-19)22-16(25)12-2-5-14(20-13-3-4-13)15(10-12)24(28)29/h2,5,10-11,13,20H,3-4,6-9H2,1H3,(H,21,27)(H,22,25)
InChIKeyLTKXSZXBCLYBMC-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.31
Rot. Bonds5

About 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide

4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide (PubChem CID 16960910) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide
PubChem CID16960910
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2=O
InChIInChI=1S/C19H23N5O5/c1-11-6-8-19(9-7-11)17(26)23(18(27)21-19)22-16(25)12-2-5-14(20-13-3-4-13)15(10-12)24(28)29/h2,5,10-11,13,20H,3-4,6-9H2,1H3,(H,21,27)(H,22,25)
InChIKeyLTKXSZXBCLYBMC-UHFFFAOYSA-N
XLogP2.31
TPSA133.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.31
H-Bond Donors ≤ 53
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 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide?
The IUPAC name of 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide (CID 16960910) is 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide?
The canonical SMILES for 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide is CC1CCC2(CC1)NC(=O)N(NC(=O)c1ccc(NC3CC3)c([N+](=O)[O-])c1)C2=O.
What is the InChIKey of 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide?
The InChIKey is LTKXSZXBCLYBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-11-6-8-19(9-7-11)17(26)23(18(27)21-19)22-16(25)12-2-5-14(20-13-3-4-13)15(10-12)24(28)29/h2,5,10-11,13,20H,3-4,6-9H2,1H3,(H,21,27)(H,22,25).
What are the key properties of 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide?
4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide has a molecular weight of 401.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-3-nitrobenzamide is sourced from PubChem (CID 16960910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).