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

C19H24N4O5 — CID 7180369

IUPACN-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O
InChIInChI=1S/C19H24N4O5/c1-19(14-7-9-15(10-8-14)23(27)28)17(25)22(18(26)21-19)12-16(24)20-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,20,24)(H,21,26)/t19-/m0/s1
InChIKeyDHCQTANHXHYDPL-IBGZPJMESA-N
MW388.42 g/mol
LogP2.06
Rot. Bonds6

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

N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7180369) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7180369
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESC[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O
InChIInChI=1S/C19H24N4O5/c1-19(14-7-9-15(10-8-14)23(27)28)17(25)22(18(26)21-19)12-16(24)20-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,20,24)(H,21,26)/t19-/m0/s1
InChIKeyDHCQTANHXHYDPL-IBGZPJMESA-N
XLogP2.06
TPSA121.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.06
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

2-[(4R)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylmethyl)acetamide
CID 2577259
N-(cyclohexylmethyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40706070
N-(cyclopropylmethyl)-2-[(4S)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 33458916
N-(4-methylcyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180249
N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7431279
methyl 4-[[[2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 40856448
N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7044068
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[(4-nitrophenyl)methyl]acetamide
CID 55530375
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180255
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175
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-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7180369) is N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)NCC2CCCCC2)C1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is DHCQTANHXHYDPL-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O5/c1-19(14-7-9-15(10-8-14)23(27)28)17(25)22(18(26)21-19)12-16(24)20-11-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,20,24)(H,21,26)/t19-/m0/s1.
What are the key properties of N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 388.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7180369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).