trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane

C24H36N4 — CID 10667503

IUPACtrans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
SMILESCN1CCN(C)CCN(C)[C@@H](c2ccccc2)[C@H](c2ccccc2)N(C)CC1
InChIInChI=1S/C24H36N4/c1-25-15-16-26(2)18-20-28(4)24(22-13-9-6-10-14-22)23(27(3)19-17-25)21-11-7-5-8-12-21/h5-14,23-24H,15-20H2,1-4H3/t23-,24-/m0/s1
InChIKeyDKQVGZATEQLFMW-ZEQRLZLVSA-N
MW380.58 g/mol
LogP3.21
Rot. Bonds2

About trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane

trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane (PubChem CID 10667503) has the molecular formula C24H36N4 and a molecular weight of 380.58 g/mol. Its IUPAC name is trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Nametrans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
PubChem CID10667503
Molecular FormulaC24H36N4
Molecular Weight380.58 g/mol
Exact Mass380.29
IUPAC Nametrans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane
SMILESCN1CCN(C)CCN(C)[C@@H](c2ccccc2)[C@H](c2ccccc2)N(C)CC1
InChIInChI=1S/C24H36N4/c1-25-15-16-26(2)18-20-28(4)24(22-13-9-6-10-14-22)23(27(3)19-17-25)21-11-7-5-8-12-21/h5-14,23-24H,15-20H2,1-4H3/t23-,24-/m0/s1
InChIKeyDKQVGZATEQLFMW-ZEQRLZLVSA-N
XLogP3.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.58
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane 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

1,4-dimethyl-2-phenylpiperazine;hydroiodide
CID 168921950
(2S,3S)-1,3-dimethyl-2-phenylpiperidine
CID 97355849
(2S,3R)-1-methyl-2,3-diphenylpiperazine
CID 141484879
[(2R,3R)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 124832574
1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
(5S,6S)-4-methyl-6-(4-methylpiperazine-1-carbonyl)-5-phenylmorpholin-3-one
CID 95738127
1-methyl-2-phenylazetidine
CID 576373
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
1-methyl-2,3-diphenylimidazolidine
CID 10399319
(1,3-dimethyl-4,5-diphenylimidazolidin-2-ylidene)azanide
CID 162358368

Frequently Asked Questions

What is the IUPAC name of trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane?
The IUPAC name of trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane (CID 10667503) is trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane?
The canonical SMILES for trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane is CN1CCN(C)CCN(C)[C@@H](c2ccccc2)[C@H](c2ccccc2)N(C)CC1.
What is the InChIKey of trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane?
The InChIKey is DKQVGZATEQLFMW-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H36N4/c1-25-15-16-26(2)18-20-28(4)24(22-13-9-6-10-14-22)23(27(3)19-17-25)21-11-7-5-8-12-21/h5-14,23-24H,15-20H2,1-4H3/t23-,24-/m0/s1.
What are the key properties of trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane?
trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane has a molecular weight of 380.58 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3S)-1,4,7,10-tetramethyl-2,3-diphenyl-1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 10667503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).