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

C17H21N5O5 — CID 27056903

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide
SMILESCc1c(NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H21N5O5/c1-11-12(6-5-7-13(11)22(26)27)18-10-14(23)20-21-15(24)17(19-16(21)25)8-3-2-4-9-17/h5-7,18H,2-4,8-10H2,1H3,(H,19,25)(H,20,23)
InChIKeyQIEMWXURAKRLKY-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.60
Rot. Bonds5

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

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide (PubChem CID 27056903) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide
PubChem CID27056903
Molecular FormulaC17H21N5O5
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide
SMILESCc1c(NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cccc1[N+](=O)[O-]
InChIInChI=1S/C17H21N5O5/c1-11-12(6-5-7-13(11)22(26)27)18-10-14(23)20-21-15(24)17(19-16(21)25)8-3-2-4-9-17/h5-7,18H,2-4,8-10H2,1H3,(H,19,25)(H,20,23)
InChIKeyQIEMWXURAKRLKY-UHFFFAOYSA-N
XLogP1.60
TPSA133.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.60
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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Related Compounds

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
CID 27056892
2-(3-bromoanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27056879
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
2-(3-acetamido-2-methylanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 34067918
2-(2-methyl-3-nitroanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29459287
2-[5-(dimethylsulfamoyl)-2-(ethylamino)anilino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533737
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 55490203
N-(2-ethylphenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 26525537
N-(2-methyl-3-nitrophenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17489416
N-(3-bromophenyl)-2-(2-methyl-3-nitroanilino)acetamide
CID 9102349
2-[1-[2-(2-methyl-3-nitroanilino)-2-oxoethyl]cyclohexyl]acetic acid
CID 39729008

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide (CID 27056903) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide is Cc1c(NCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cccc1[N+](=O)[O-].
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide?
The InChIKey is QIEMWXURAKRLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5/c1-11-12(6-5-7-13(11)22(26)27)18-10-14(23)20-21-15(24)17(19-16(21)25)8-3-2-4-9-17/h5-7,18H,2-4,8-10H2,1H3,(H,19,25)(H,20,23).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide has a molecular weight of 375.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-3-nitroanilino)acetamide is sourced from PubChem (CID 27056903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).