N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide

C17H21N5O5 — CID 56504124

IUPACN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN2c3ccc([N+](=O)[O-])cc3CC2C)C1=O
InChIInChI=1S/C17H21N5O5/c1-4-17(3)15(24)21(16(25)18-17)19-14(23)9-20-10(2)7-11-8-12(22(26)27)5-6-13(11)20/h5-6,8,10H,4,7,9H2,1-3H3,(H,18,25)(H,19,23)
InChIKeyGHGCLETYGBUWFP-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.10
Rot. Bonds5

About N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide

N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide (PubChem CID 56504124) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide
PubChem CID56504124
Molecular FormulaC17H21N5O5
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC NameN-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide
SMILESCCC1(C)NC(=O)N(NC(=O)CN2c3ccc([N+](=O)[O-])cc3CC2C)C1=O
InChIInChI=1S/C17H21N5O5/c1-4-17(3)15(24)21(16(25)18-17)19-14(23)9-20-10(2)7-11-8-12(22(26)27)5-6-13(11)20/h5-6,8,10H,4,7,9H2,1-3H3,(H,18,25)(H,19,23)
InChIKeyGHGCLETYGBUWFP-UHFFFAOYSA-N
XLogP1.10
TPSA124.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.10
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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Related Compounds

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide
CID 56502717
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(2R)-2-methyl-5-nitro-2,3-dihydroindol-1-yl]acetamide
CID 97094909
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(4S)-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 34205711
N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737456
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 51984005
2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46549067
2-methyl-5-nitro-2,3-dihydroindol-1-amine
CID 154151667
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-nitro-1H-pyrrol-2-yl)ethanone
CID 43794136
tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 51729430
2-[(2S)-6-bromo-2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-N-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 96534752
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)acetamide
CID 55436806
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 56803060

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide?
The IUPAC name of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide (CID 56504124) is N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide.
What is the SMILES notation for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide?
The canonical SMILES for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide is CCC1(C)NC(=O)N(NC(=O)CN2c3ccc([N+](=O)[O-])cc3CC2C)C1=O.
What is the InChIKey of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide?
The InChIKey is GHGCLETYGBUWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O5/c1-4-17(3)15(24)21(16(25)18-17)19-14(23)9-20-10(2)7-11-8-12(22(26)27)5-6-13(11)20/h5-6,8,10H,4,7,9H2,1-3H3,(H,18,25)(H,19,23).
What are the key properties of N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide?
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide has a molecular weight of 375.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-(2-methyl-5-nitro-2,3-dihydroindol-1-yl)acetamide is sourced from PubChem (CID 56504124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).