2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide

C20H20N4O5 — CID 9040652

IUPAC2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C20H20N4O5/c1-20(11-10-14-6-3-2-4-7-14)18(26)23(19(27)22-20)13-17(25)21-15-8-5-9-16(12-15)24(28)29/h2-9,12H,10-11,13H2,1H3,(H,21,25)(H,22,27)/t20-/m1/s1
InChIKeyAPLPAXXBZXGHNJ-HXUWFJFHSA-N
MW396.40 g/mol
LogP2.48
Rot. Bonds7

About 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide

2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide (PubChem CID 9040652) has the molecular formula C20H20N4O5 and a molecular weight of 396.40 g/mol. Its IUPAC name is 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
PubChem CID9040652
Molecular FormulaC20H20N4O5
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O
InChIInChI=1S/C20H20N4O5/c1-20(11-10-14-6-3-2-4-7-14)18(26)23(19(27)22-20)13-17(25)21-15-8-5-9-16(12-15)24(28)29/h2-9,12H,10-11,13H2,1H3,(H,21,25)(H,22,27)/t20-/m1/s1
InChIKeyAPLPAXXBZXGHNJ-HXUWFJFHSA-N
XLogP2.48
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-fluoro-4-methylphenyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 16544949
N-(3-methoxyphenyl)-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507084
2-[4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 24654212
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 40856002
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 7170984
N-(2,4-dichlorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2449403
N-(2-chloro-4-methylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170941
2-[(4S)-4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-nitrophenyl)acetamide
CID 7988380
3-[[2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 31613714
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide (CID 9040652) is 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide is C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C1=O.
What is the InChIKey of 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide?
The InChIKey is APLPAXXBZXGHNJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N4O5/c1-20(11-10-14-6-3-2-4-7-14)18(26)23(19(27)22-20)13-17(25)21-15-8-5-9-16(12-15)24(28)29/h2-9,12H,10-11,13H2,1H3,(H,21,25)(H,22,27)/t20-/m1/s1.
What are the key properties of 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide?
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide has a molecular weight of 396.40 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 9040652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).