N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C16H19N5O7 — CID 43075658

IUPACN-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOCCNC(=O)NC(=O)CN1C(=O)NC(C)(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C16H19N5O7/c1-16(10-4-3-5-11(8-10)21(26)27)13(23)20(15(25)19-16)9-12(22)18-14(24)17-6-7-28-2/h3-5,8H,6-7,9H2,1-2H3,(H,19,25)(H2,17,18,22,24)
InChIKeyGOTNWMPZHYATNR-UHFFFAOYSA-N
MW393.36 g/mol
LogP-0.17
Rot. Bonds7

About N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 43075658) has the molecular formula C16H19N5O7 and a molecular weight of 393.36 g/mol. Its IUPAC name is N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID43075658
Molecular FormulaC16H19N5O7
Molecular Weight393.36 g/mol
Exact Mass393.13
IUPAC NameN-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOCCNC(=O)NC(=O)CN1C(=O)NC(C)(c2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C16H19N5O7/c1-16(10-4-3-5-11(8-10)21(26)27)13(23)20(15(25)19-16)9-12(22)18-14(24)17-6-7-28-2/h3-5,8H,6-7,9H2,1-2H3,(H,19,25)(H2,17,18,22,24)
InChIKeyGOTNWMPZHYATNR-UHFFFAOYSA-N
XLogP-0.17
TPSA159.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(1-adamantylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55685061
N-[(3,4-dimethoxyphenyl)methyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55684983
N-(3-methoxyphenyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075508
2-[(4R)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 2701996
N,N-dimethyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075598
N-[2,6-di(propan-2-yl)phenyl]-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43075611
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 55326771
(5R)-5-(3-bromophenyl)-5-methyl-3-[(3-nitrophenyl)methyl]imidazolidine-2,4-dione
CID 2710989
N-methyl-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 43075515
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 40918408
2-[(4S)-4-(3-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-5-nitrophenyl)acetamide
CID 40779068
N-[(2R)-1-methoxypropan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180214

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 43075658) is N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is COCCNC(=O)NC(=O)CN1C(=O)NC(C)(c2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is GOTNWMPZHYATNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O7/c1-16(10-4-3-5-11(8-10)21(26)27)13(23)20(15(25)19-16)9-12(22)18-14(24)17-6-7-28-2/h3-5,8H,6-7,9H2,1-2H3,(H,19,25)(H2,17,18,22,24).
What are the key properties of N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 393.36 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethylcarbamoyl)-2-[4-methyl-4-(3-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 43075658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).