N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide

C26H32N2O2 — CID 146394219

IUPACN,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide
SMILESO=C(N1OC1c1ccc(-c2ccccc2)cc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H32N2O2/c29-26(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)28-25(30-28)22-18-16-21(17-19-22)20-10-4-1-5-11-20/h1,4-5,10-11,16-19,23-25H,2-3,6-9,12-15H2
InChIKeyJITZYUQYJGFLAB-UHFFFAOYSA-N
MW404.55 g/mol
LogP6.69
Rot. Bonds4

About N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide

N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide (PubChem CID 146394219) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide
PubChem CID146394219
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide
SMILESO=C(N1OC1c1ccc(-c2ccccc2)cc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H32N2O2/c29-26(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)28-25(30-28)22-18-16-21(17-19-22)20-10-4-1-5-11-20/h1,4-5,10-11,16-19,23-25H,2-3,6-9,12-15H2
InChIKeyJITZYUQYJGFLAB-UHFFFAOYSA-N
XLogP6.69
TPSA35.85 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(4-phenylphenyl)oxaziridine-2-carboxamide
CID 146394227
(4-azidopiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone;N,N-diethyl-3-phenyloxaziridine-2-carboxamide;(3-phenyloxaziridin-2-yl)-piperidin-1-ylmethanone
CID 163600008
cyclohexanecarboxylic acid;4-phenylbenzaldehyde
CID 160797265
azane;cyclohexanecarboxylic acid;4-phenylbenzaldehyde
CID 23291608
4-(4-chlorophenyl)-N-cyclohexyl-N-methyl-5-phenyltriazole-2-carboxamide
CID 24955583
N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
CID 66681847
2-azaspiro[3.5]nonan-2-yl-(3-phenyloxaziridin-2-yl)methanone
CID 169211324
N,N-dicyclohexyl-2-[2-[(4-phenylphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16987501
N,N-dicyclohexyl-1-phenylcyclopropane-1-carboxamide
CID 3231412
1,1'-biphenyl;cyclohexanol
CID 142137438
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
(4-phenoxypiperidin-1-yl)-(3-phenyloxaziridin-2-yl)methanone
CID 169211388

Frequently Asked Questions

What is the IUPAC name of N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide?
The IUPAC name of N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide (CID 146394219) is N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide.
What is the SMILES notation for N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide?
The canonical SMILES for N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide is O=C(N1OC1c1ccc(-c2ccccc2)cc1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide?
The InChIKey is JITZYUQYJGFLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c29-26(27(23-12-6-2-7-13-23)24-14-8-3-9-15-24)28-25(30-28)22-18-16-21(17-19-22)20-10-4-1-5-11-20/h1,4-5,10-11,16-19,23-25H,2-3,6-9,12-15H2.
What are the key properties of N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide?
N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide has a molecular weight of 404.55 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-3-(4-phenylphenyl)oxaziridine-2-carboxamide is sourced from PubChem (CID 146394219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).