2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide

C17H18N4O7 — CID 4857034

IUPAC2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N4O7/c1-28-11-6-7-12(13(8-11)21(26)27)18-14(22)9-19-15(23)16(24)20(17(19)25)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,18,22)
InChIKeyRMTNHNZQNFTBGI-UHFFFAOYSA-N
MW390.35 g/mol
LogP1.28
Rot. Bonds6

About 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 4857034) has the molecular formula C17H18N4O7 and a molecular weight of 390.35 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID4857034
Molecular FormulaC17H18N4O7
Molecular Weight390.35 g/mol
Exact Mass390.12
IUPAC Name2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C17H18N4O7/c1-28-11-6-7-12(13(8-11)21(26)27)18-14(22)9-19-15(23)16(24)20(17(19)25)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,18,22)
InChIKeyRMTNHNZQNFTBGI-UHFFFAOYSA-N
XLogP1.28
TPSA139.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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'}

Analyze 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-cyclohexyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 34602255
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7619684
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46800759
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4879335
N-(4-chloro-2-methylphenyl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2560914
2-(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 7492264
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 11931197
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 25412159
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46639292
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 4857034) is 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)C(=O)N(C3CCCC3)C2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is RMTNHNZQNFTBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O7/c1-28-11-6-7-12(13(8-11)21(26)27)18-14(22)9-19-15(23)16(24)20(17(19)25)10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,18,22).
What are the key properties of 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 390.35 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 4857034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).