(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine

C26H37NO — CID 71378075

IUPAC(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine
SMILESCCCCCCCCCC[C@]1(C)[C@@H](c2ccccc2)N1c1ccc(OC)cc1
InChIInChI=1S/C26H37NO/c1-4-5-6-7-8-9-10-14-21-26(2)25(22-15-12-11-13-16-22)27(26)23-17-19-24(28-3)20-18-23/h11-13,15-20,25H,4-10,14,21H2,1-3H3/t25-,26-,27?/m1/s1
InChIKeyLLKWVTFRNMYZHU-QMMNWOAZSA-N
MW379.59 g/mol
LogP7.55
Rot. Bonds12

About (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine

(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine (PubChem CID 71378075) has the molecular formula C26H37NO and a molecular weight of 379.59 g/mol. Its IUPAC name is (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine.

Molecular Properties

Compound Name(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine
PubChem CID71378075
Molecular FormulaC26H37NO
Molecular Weight379.59 g/mol
Exact Mass379.29
IUPAC Name(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine
SMILESCCCCCCCCCC[C@]1(C)[C@@H](c2ccccc2)N1c1ccc(OC)cc1
InChIInChI=1S/C26H37NO/c1-4-5-6-7-8-9-10-14-21-26(2)25(22-15-12-11-13-16-22)27(26)23-17-19-24(28-3)20-18-23/h11-13,15-20,25H,4-10,14,21H2,1-3H3/t25-,26-,27?/m1/s1
InChIKeyLLKWVTFRNMYZHU-QMMNWOAZSA-N
XLogP7.55
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.59
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-benzyl-2-decyl-1,3-diphenylaziridine
CID 15531699
(5S)-1-(4-methoxyphenyl)-2,2-dimethyl-5-phenylpyrrolidine
CID 135021339
anisole;1-chloropentane
CID 174500344
(2R,3R)-2-methyl-1,3-diphenyl-2-prop-2-enylaziridine
CID 15531693
(2S,3R)-2-fluoro-3-(4-methoxyphenyl)-1,2-diphenylaziridine
CID 11544255
anisole;hexadecan-2-one
CID 167511071
(3S,4R)-3-hydroxy-1,4-bis(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 11661663
(3R,4S)-1,4-bis(4-methoxyphenyl)-3-phenylazetidin-2-one
CID 101388237
anisole;argon;propane
CID 165043377
ethyl (2S,3R)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085696
ethyl (2R,3S)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085695
1-methoxy-4-tetradecoxybenzene
CID 91712423

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine?
The IUPAC name of (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine (CID 71378075) is (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine.
What is the SMILES notation for (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine?
The canonical SMILES for (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine is CCCCCCCCCC[C@]1(C)[C@@H](c2ccccc2)N1c1ccc(OC)cc1.
What is the InChIKey of (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine?
The InChIKey is LLKWVTFRNMYZHU-QMMNWOAZSA-N. The full InChI is InChI=1S/C26H37NO/c1-4-5-6-7-8-9-10-14-21-26(2)25(22-15-12-11-13-16-22)27(26)23-17-19-24(28-3)20-18-23/h11-13,15-20,25H,4-10,14,21H2,1-3H3/t25-,26-,27?/m1/s1.
What are the key properties of (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine?
(2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine has a molecular weight of 379.59 g/mol, XLogP of 7.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-decyl-1-(4-methoxyphenyl)-2-methyl-3-phenylaziridine is sourced from PubChem (CID 71378075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).