2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide

C19H24N4O6 — CID 7619684

IUPAC2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H24N4O6/c1-19(12-6-4-3-5-7-12)17(25)22(18(26)21-19)11-16(24)20-14-9-8-13(29-2)10-15(14)23(27)28/h8-10,12H,3-7,11H2,1-2H3,(H,20,24)(H,21,26)/t19-/m0/s1
InChIKeyWCFLLWCKZMJFOW-IBGZPJMESA-N
MW404.42 g/mol
LogP2.43
Rot. Bonds6

About 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide

2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 7619684) has the molecular formula C19H24N4O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID7619684
Molecular FormulaC19H24N4O6
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Name2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)c([N+](=O)[O-])c1
InChIInChI=1S/C19H24N4O6/c1-19(12-6-4-3-5-7-12)17(25)22(18(26)21-19)11-16(24)20-14-9-8-13(29-2)10-15(14)23(27)28/h8-10,12H,3-7,11H2,1-2H3,(H,20,24)(H,21,26)/t19-/m0/s1
InChIKeyWCFLLWCKZMJFOW-IBGZPJMESA-N
XLogP2.43
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.43
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

2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 7041034
2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4857034
2-(2-ethylpiperidin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 46800759
2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 7618626
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4879335
methyl 4-[[2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7619230
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 7610599
N-(5-chloro-2-methoxyphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16557024
N-(4-tert-butylphenyl)-2-[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7619141
N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 41208294
N-(4-chloro-2-fluorophenyl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8572834

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide (CID 7619684) is 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is WCFLLWCKZMJFOW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O6/c1-19(12-6-4-3-5-7-12)17(25)22(18(26)21-19)11-16(24)20-14-9-8-13(29-2)10-15(14)23(27)28/h8-10,12H,3-7,11H2,1-2H3,(H,20,24)(H,21,26)/t19-/m0/s1.
What are the key properties of 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide?
2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 404.42 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 7619684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).