(1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide

C19H23N3O3 — CID 31434630

IUPAC(1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)[C@H]2CC=CCC2)C1=O
InChIInChI=1S/C19H23N3O3/c1-19(13-12-14-8-4-2-5-9-14)17(24)22(18(25)20-19)21-16(23)15-10-6-3-7-11-15/h2-6,8-9,15H,7,10-13H2,1H3,(H,20,25)(H,21,23)/t15-,19+/m0/s1
InChIKeyOECLSPINFBYZES-HNAYVOBHSA-N
MW341.41 g/mol
LogP2.32
Rot. Bonds5

About (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide (PubChem CID 31434630) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide
PubChem CID31434630
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name(1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide
SMILESC[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)[C@H]2CC=CCC2)C1=O
InChIInChI=1S/C19H23N3O3/c1-19(13-12-14-8-4-2-5-9-14)17(24)22(18(25)20-19)21-16(23)15-10-6-3-7-11-15/h2-6,8-9,15H,7,10-13H2,1H3,(H,20,25)(H,21,23)/t15-,19+/m0/s1
InChIKeyOECLSPINFBYZES-HNAYVOBHSA-N
XLogP2.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide (CID 31434630) is (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide is C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)[C@H]2CC=CCC2)C1=O.
What is the InChIKey of (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide?
The InChIKey is OECLSPINFBYZES-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-19(13-12-14-8-4-2-5-9-14)17(24)22(18(25)20-19)21-16(23)15-10-6-3-7-11-15/h2-6,8-9,15H,7,10-13H2,1H3,(H,20,25)(H,21,23)/t15-,19+/m0/s1.
What are the key properties of (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 31434630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).