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

C19H21N5O5 — CID 7431279

IUPACN-(1-cyanocyclohexyl)-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)NC2(C#N)CCCCC2)C1=O
InChIInChI=1S/C19H21N5O5/c1-18(13-5-7-14(8-6-13)24(28)29)16(26)23(17(27)22-18)11-15(25)21-19(12-20)9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,21,25)(H,22,27)/t18-/m0/s1
InChIKeyWKOYAJJIHANLEH-SFHVURJKSA-N
MW399.41 g/mol
LogP1.70
Rot. Bonds5

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

N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 7431279) has the molecular formula C19H21N5O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID7431279
Molecular FormulaC19H21N5O5
Molecular Weight399.41 g/mol
Exact Mass399.15
IUPAC NameN-(1-cyanocyclohexyl)-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)NC2(C#N)CCCCC2)C1=O
InChIInChI=1S/C19H21N5O5/c1-18(13-5-7-14(8-6-13)24(28)29)16(26)23(17(27)22-18)11-15(25)21-19(12-20)9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,21,25)(H,22,27)/t18-/m0/s1
InChIKeyWKOYAJJIHANLEH-SFHVURJKSA-N
XLogP1.70
TPSA145.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.70
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

N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7531444
N-(1-cyanocyclopentyl)-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 7998545
N-(1-cyanocycloheptyl)-2-(4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 55537845
2-[(4S)-4-(2-bromophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 40942263
[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708839
N-(cyclohexylmethyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180369
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180255
N-(1-cyanocyclohexyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 7431297
N-[(2R)-3-methylbutan-2-yl]-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180175
N-(4-methylcyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180249
N-(1-cyanocyclopentyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 4823027
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 7431279) is N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-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)NC2(C#N)CCCCC2)C1=O.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is WKOYAJJIHANLEH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N5O5/c1-18(13-5-7-14(8-6-13)24(28)29)16(26)23(17(27)22-18)11-15(25)21-19(12-20)9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,21,25)(H,22,27)/t18-/m0/s1.
What are the key properties of N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 399.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(4S)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7431279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).